(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide

C18H29N3O — CID 124831484

IUPAC(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide
SMILESCCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N
InChIInChI=1S/C18H29N3O/c1-3-21(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)20-18(22)14(2)19/h4-6,9-10,14,16-17H,3,7-8,11-13,19H2,1-2H3,(H,20,22)/t14-,16+,17+/m0/s1
InChIKeyTVSXZBNHJPRRAT-USXIJHARSA-N
MW303.45 g/mol
LogP2.28
Rot. Bonds6

About (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide

(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide (PubChem CID 124831484) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide
PubChem CID124831484
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide
SMILESCCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N
InChIInChI=1S/C18H29N3O/c1-3-21(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)20-18(22)14(2)19/h4-6,9-10,14,16-17H,3,7-8,11-13,19H2,1-2H3,(H,20,22)/t14-,16+,17+/m0/s1
InChIKeyTVSXZBNHJPRRAT-USXIJHARSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide 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-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide
CID 66567069
(2S)-2-amino-N-[(1R,2S)-2-[benzyl(methyl)amino]cyclohexyl]-3-methylbutanamide
CID 96554298
2-amino-N-[(2S)-2-[benzyl(propan-2-yl)amino]cyclohexyl]-3-methylbutanamide
CID 121226052
(2S)-2-amino-N-[(1R,2S)-2-[benzyl(propan-2-yl)amino]cyclohexyl]-3-methylbutanamide
CID 96552117
(2S)-2-amino-N-[(1R,2S)-2-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 96554320
(2S)-2-amino-N-[(1R,2R)-2-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 96554322
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
CID 92701825
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230
2-amino-N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 124526892
2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide
CID 121226200
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide (CID 124831484) is (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide is CCN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide?
The InChIKey is TVSXZBNHJPRRAT-USXIJHARSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-21(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)20-18(22)14(2)19/h4-6,9-10,14,16-17H,3,7-8,11-13,19H2,1-2H3,(H,20,22)/t14-,16+,17+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide?
(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide has a molecular weight of 303.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide is sourced from PubChem (CID 124831484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).