N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

C17H24N4O4 — CID 72891428

IUPACN-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CCC(=O)NCC2C)c1C
InChIInChI=1S/C17H24N4O4/c1-11-9-18-15(22)7-8-21(11)17(24)20-14-6-4-5-13(12(14)2)19-16(23)10-25-3/h4-6,11H,7-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyJMYAZRKGFLENJR-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.32
Rot. Bonds4

About N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 72891428) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID72891428
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CCC(=O)NCC2C)c1C
InChIInChI=1S/C17H24N4O4/c1-11-9-18-15(22)7-8-21(11)17(24)20-14-6-4-5-13(12(14)2)19-16(23)10-25-3/h4-6,11H,7-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyJMYAZRKGFLENJR-UHFFFAOYSA-N
XLogP1.32
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

(2S)-2-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]phenyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 97435617
(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97434325
(3S)-3-amino-N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]pyrrolidine-1-carboxamide
CID 97437838
(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97443503
(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 125164718
(2R)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 125164719
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 72886751
2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118772558
2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370537
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
N-(3-azido-2-methylphenyl)-2-methoxyacetamide
CID 169324993
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 62947768

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (CID 72891428) is N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is COCC(=O)Nc1cccc(NC(=O)N2CCC(=O)NCC2C)c1C.
What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is JMYAZRKGFLENJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-9-18-15(22)7-8-21(11)17(24)20-14-6-4-5-13(12(14)2)19-16(23)10-25-3/h4-6,11H,7-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 72891428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).