(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide

C20H31N3O2 — CID 125138727

IUPAC(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide
SMILESCN(C)[C@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-22(2)16-8-7-14-23(15-13-16)20(24)21-18-11-5-6-12-19(18)25-17-9-3-4-10-17/h5-6,11-12,16-17H,3-4,7-10,13-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyXXVMZQWXIBNFAZ-INIZCTEOSA-N
MW345.49 g/mol
LogP3.96
Rot. Bonds4

About (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide

(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide (PubChem CID 125138727) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide
PubChem CID125138727
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide
SMILESCN(C)[C@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-22(2)16-8-7-14-23(15-13-16)20(24)21-18-11-5-6-12-19(18)25-17-9-3-4-10-17/h5-6,11-12,16-17H,3-4,7-10,13-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyXXVMZQWXIBNFAZ-INIZCTEOSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-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

(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138699
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
(3S)-3-(dimethylamino)-N-[2-(2-methylprop-2-enoxy)phenyl]pyrrolidine-1-carboxamide
CID 97438370
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99856429
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
4-(2-chlorophenoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 58867845
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162729
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide?
The IUPAC name of (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide (CID 125138727) is (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide.
What is the SMILES notation for (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide?
The canonical SMILES for (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide is CN(C)[C@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)CC1.
What is the InChIKey of (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide?
The InChIKey is XXVMZQWXIBNFAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(2)16-8-7-14-23(15-13-16)20(24)21-18-11-5-6-12-19(18)25-17-9-3-4-10-17/h5-6,11-12,16-17H,3-4,7-10,13-15H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide?
(4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-cyclopentyloxyphenyl)-4-(dimethylamino)azepane-1-carboxamide is sourced from PubChem (CID 125138727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).