N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide

C17H24N2O4 — CID 122150789

IUPACN-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2(O)CCCCC2)c1
InChIInChI=1S/C17H24N2O4/c1-23-14-7-5-6-13(12-14)15(20)18-10-11-19-16(21)17(22)8-3-2-4-9-17/h5-7,12,22H,2-4,8-11H2,1H3,(H,18,20)(H,19,21)
InChIKeySBBZZMVKFYJTFO-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.24
Rot. Bonds6

About N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide

N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide (PubChem CID 122150789) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
PubChem CID122150789
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2(O)CCCCC2)c1
InChIInChI=1S/C17H24N2O4/c1-23-14-7-5-6-13(12-14)15(20)18-10-11-19-16(21)17(22)8-3-2-4-9-17/h5-7,12,22H,2-4,8-11H2,1H3,(H,18,20)(H,19,21)
InChIKeySBBZZMVKFYJTFO-UHFFFAOYSA-N
XLogP1.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide (CID 122150789) is N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCNC(=O)C2(O)CCCCC2)c1.
What is the InChIKey of N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide?
The InChIKey is SBBZZMVKFYJTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-23-14-7-5-6-13(12-14)15(20)18-10-11-19-16(21)17(22)8-3-2-4-9-17/h5-7,12,22H,2-4,8-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide?
N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide has a molecular weight of 320.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 122150789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).