N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

C54H82N4O6 — CID 161335511

IUPACN-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
SMILESC=CCCCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21.CCCCCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21
InChIInChI=1S/C27H42N2O3.C27H40N2O3/c2*1-7-8-9-13-16-28-23-18-22(20(4)17-24(23)32-27(5,6)26(28)31)25(30)29(19(2)3)21-14-11-10-12-15-21/h17-19,21H,7-16H2,1-6H3;7,17-19,21H,1,8-16H2,2-6H3
InChIKeyVLZFIDODZWGLPJ-UHFFFAOYSA-N
MW883.27 g/mol
LogP12.30
Rot. Bonds16

About N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (PubChem CID 161335511) has the molecular formula C54H82N4O6 and a molecular weight of 883.27 g/mol. Its IUPAC name is N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
PubChem CID161335511
Molecular FormulaC54H82N4O6
Molecular Weight883.27 g/mol
Exact Mass882.62
IUPAC NameN-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
SMILESC=CCCCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21.CCCCCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21
InChIInChI=1S/C27H42N2O3.C27H40N2O3/c2*1-7-8-9-13-16-28-23-18-22(20(4)17-24(23)32-27(5,6)26(28)31)25(30)29(19(2)3)21-14-11-10-12-15-21/h17-19,21H,7-16H2,1-6H3;7,17-19,21H,1,8-16H2,2-6H3
InChIKeyVLZFIDODZWGLPJ-UHFFFAOYSA-N
XLogP12.30
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.27
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanethioylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 58376494
N-cyclohexyl-4-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 58375984
4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 158523508
4-(2-acetamidoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;4-(2-aminoethyl)-N-cyclohexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 158655185
4-(4-hydroxybutyl)-2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 51354754
7-chloro-N-cyclohexyl-4-(4-methoxybutyl)-2,2-dimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 58376488
7-cyano-N-cyclohexyl-4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 58376687
bis(7-bromo-N-cyclohexyl-4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide);hydrochloride
CID 159686044
2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 51354478
3-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid
CID 58375867
(3R)-3-[[4-[2-(dimethylcarbamoyloxy)ethyl]-2,2,7-trimethyl-3-oxo-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylic acid
CID 67330195
4-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2,7-trimethyl-3-oxo-N-[4-(2-oxoethyl)cyclohexyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 58376373

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide (CID 161335511) is N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is C=CCCCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21.CCCCCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21.
What is the InChIKey of N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
The InChIKey is VLZFIDODZWGLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O3.C27H40N2O3/c2*1-7-8-9-13-16-28-23-18-22(20(4)17-24(23)32-27(5,6)26(28)31)25(30)29(19(2)3)21-14-11-10-12-15-21/h17-19,21H,7-16H2,1-6H3;7,17-19,21H,1,8-16H2,2-6H3.
What are the key properties of N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide?
N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide has a molecular weight of 883.27 g/mol, XLogP of 12.30, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hex-5-enyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;N-cyclohexyl-4-hexyl-2,2,7-trimethyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 161335511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).