N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide

C14H24N2O2 — CID 71876337

IUPACN-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide
SMILESCCC(OC1CCCC1)C(=O)N(C)CC(C)C#N
InChIInChI=1S/C14H24N2O2/c1-4-13(18-12-7-5-6-8-12)14(17)16(3)10-11(2)9-15/h11-13H,4-8,10H2,1-3H3
InChIKeyBZDOUVDGRHFBNN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds6

About N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide

N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide (PubChem CID 71876337) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide
PubChem CID71876337
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide
SMILESCCC(OC1CCCC1)C(=O)N(C)CC(C)C#N
InChIInChI=1S/C14H24N2O2/c1-4-13(18-12-7-5-6-8-12)14(17)16(3)10-11(2)9-15/h11-13H,4-8,10H2,1-3H3
InChIKeyBZDOUVDGRHFBNN-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide 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

3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228312
2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid
CID 119346552
(2R)-2-cyclopentyloxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 95625497
N-(3-amino-2,2-dimethylpropyl)-2-cyclopentyloxy-N-methylbutanamide
CID 119653436
N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
CID 107026270
(2S)-N-(cyanomethyl)-2-cyclopentyloxy-N-phenylbutanamide
CID 97095287
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
CID 56789407
2-amino-N-(2-cyanopropyl)-N-methylpentanamide
CID 60963784
N-(2-cyanopropyl)-N-methylazepane-2-carboxamide
CID 64563051
N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
CID 78969862
N-(2-cyanopropyl)-N,3-dimethylpentanamide
CID 114874726

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide?
The IUPAC name of N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide (CID 71876337) is N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide?
The canonical SMILES for N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide is CCC(OC1CCCC1)C(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide?
The InChIKey is BZDOUVDGRHFBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-13(18-12-7-5-6-8-12)14(17)16(3)10-11(2)9-15/h11-13H,4-8,10H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide?
N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide has a molecular weight of 252.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide is sourced from PubChem (CID 71876337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).