N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

C24H30N4O4 — CID 3227630

IUPACN-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCCC1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C24H30N4O4/c1-4-20-24(31)27(14-22(29)25-18-8-6-5-7-9-18)19-13-17(10-11-21(19)32-20)23(30)28-16(3)12-15(2)26-28/h10-13,18,20H,4-9,14H2,1-3H3,(H,25,29)
InChIKeyZTFCNUMEPKDGJH-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.14
Rot. Bonds5

About N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 3227630) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
PubChem CID3227630
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCCC1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C24H30N4O4/c1-4-20-24(31)27(14-22(29)25-18-8-6-5-7-9-18)19-13-17(10-11-21(19)32-20)23(30)28-16(3)12-15(2)26-28/h10-13,18,20H,4-9,14H2,1-3H3,(H,25,29)
InChIKeyZTFCNUMEPKDGJH-UHFFFAOYSA-N
XLogP3.14
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 3808675
(2S)-6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1431830
(2R)-4-[(2-chloro-6-fluorophenyl)methyl]-6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-1,4-benzoxazin-3-one
CID 1431989
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
2-(6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cycloheptylacetamide
CID 84566375
N-cyclododecyl-3-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 110830582
2-[6-(3,5-dimethylpyrazole-1-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-phenylacetamide
CID 43817257
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3155043
N-cyclopropyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051566
(6aS)-5-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752128
4-[2-(azepan-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-1,4-benzoxazin-3-one
CID 122176492

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 3227630) is N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is CCC1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is ZTFCNUMEPKDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-4-20-24(31)27(14-22(29)25-18-8-6-5-7-9-18)19-13-17(10-11-21(19)32-20)23(30)28-16(3)12-15(2)26-28/h10-13,18,20H,4-9,14H2,1-3H3,(H,25,29).
What are the key properties of N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 3227630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).