N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

C18H26N2O2 — CID 129359010

IUPACN-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1CCO)N1CCc2ccccc2CC1
InChIInChI=1S/C18H26N2O2/c21-13-10-16-6-3-7-17(16)19-18(22)20-11-8-14-4-1-2-5-15(14)9-12-20/h1-2,4-5,16-17,21H,3,6-13H2,(H,19,22)/t16-,17-/m1/s1
InChIKeyAWVQCQQGWKSKCM-IAGOWNOFSA-N
MW302.42 g/mol
LogP2.35
Rot. Bonds3

About N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 129359010) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
PubChem CID129359010
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1CCO)N1CCc2ccccc2CC1
InChIInChI=1S/C18H26N2O2/c21-13-10-16-6-3-7-17(16)19-18(22)20-11-8-14-4-1-2-5-15(14)9-12-20/h1-2,4-5,16-17,21H,3,6-13H2,(H,19,22)/t16-,17-/m1/s1
InChIKeyAWVQCQQGWKSKCM-IAGOWNOFSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-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-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 106360522
1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122002970
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138717990
N-[2-(hydroxymethyl)cyclopentyl]-3-methylpiperidine-1-carboxamide
CID 114178614
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124738342
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 129359010) is N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCc2ccccc2CC1.
What is the InChIKey of N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The InChIKey is AWVQCQQGWKSKCM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-13-10-16-6-3-7-17(16)19-18(22)20-11-8-14-4-1-2-5-15(14)9-12-20/h1-2,4-5,16-17,21H,3,6-13H2,(H,19,22)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 129359010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).