(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

C17H24N4O4 — CID 97443503

IUPAC(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(=O)N2CCC(=O)NC[C@H]2C)cc1
InChIInChI=1S/C17H24N4O4/c1-12-11-19-15(22)7-9-21(12)17(24)20-14-5-3-13(4-6-14)16(23)18-8-10-25-2/h3-6,12H,7-11H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)/t12-/m1/s1
InChIKeyDAIAAOWYXGRLHV-GFCCVEGCSA-N
MW348.40 g/mol
LogP0.81
Rot. Bonds5

About (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 97443503) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID97443503
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(=O)N2CCC(=O)NC[C@H]2C)cc1
InChIInChI=1S/C17H24N4O4/c1-12-11-19-15(22)7-9-21(12)17(24)20-14-5-3-13(4-6-14)16(23)18-8-10-25-2/h3-6,12H,7-11H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)/t12-/m1/s1
InChIKeyDAIAAOWYXGRLHV-GFCCVEGCSA-N
XLogP0.81
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.81
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-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 72891428
3-[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]-N-(4-methylphenyl)-3-oxopropanamide
CID 95188772
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
4-(4-fluorophenyl)-N-[4-(2-methoxyethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 56763318
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate
CID 154751575
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (CID 97443503) is (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is COCCNC(=O)c1ccc(NC(=O)N2CCC(=O)NC[C@H]2C)cc1.
What is the InChIKey of (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is DAIAAOWYXGRLHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12-11-19-15(22)7-9-21(12)17(24)20-14-5-3-13(4-6-14)16(23)18-8-10-25-2/h3-6,12H,7-11H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 97443503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).