N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide

C14H25N3O2 — CID 50842221

IUPACN-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)N1CCC(=O)N(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)16-6-5-14(19)17(8-7-16)10-13(18)15-9-12-3-4-12/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyKZCOGYIPYWXUNL-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.46
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide

N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide (PubChem CID 50842221) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide
PubChem CID50842221
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide
SMILESCC(C)N1CCC(=O)N(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)16-6-5-14(19)17(8-7-16)10-13(18)15-9-12-3-4-12/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyKZCOGYIPYWXUNL-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide 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-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131944173
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 95215756
N-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131902694
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113241307
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 63258995
N-(cyclopropylmethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500254
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79107389
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
N-[(2-hydroxycyclopentyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111471342

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide (CID 50842221) is N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide is CC(C)N1CCC(=O)N(CC(=O)NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
The InChIKey is KZCOGYIPYWXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)16-6-5-14(19)17(8-7-16)10-13(18)15-9-12-3-4-12/h11-12H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide?
N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(7-oxo-4-propan-2-yl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 50842221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).