N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide

C18H25N3O3 — CID 23938280

IUPACN-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-7-5-15(6-8-16)17(22)20-9-2-10-21(12-11-20)18(23)19-13-14-3-4-14/h5-8,14H,2-4,9-13H2,1H3,(H,19,23)
InChIKeyZNEKCCDTWFWBEP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.96
Rot. Bonds4

About N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide

N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide (PubChem CID 23938280) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
PubChem CID23938280
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-7-5-15(6-8-16)17(22)20-9-2-10-21(12-11-20)18(23)19-13-14-3-4-14/h5-8,14H,2-4,9-13H2,1H3,(H,19,23)
InChIKeyZNEKCCDTWFWBEP-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide
CID 119064722
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
4-benzoyl-N-(oxan-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 136578291
(4-methoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808183
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide (CID 23938280) is N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide is COc1ccc(C(=O)N2CCCN(C(=O)NCC3CC3)CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is ZNEKCCDTWFWBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-7-5-15(6-8-16)17(22)20-9-2-10-21(12-11-20)18(23)19-13-14-3-4-14/h5-8,14H,2-4,9-13H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide?
N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 23938280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).