N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C22H35N3O2 — CID 119619459

IUPACN-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C22H35N3O2/c1-17(2)21(25-20(26)16-18-10-6-5-7-11-18)22(27)24-15-14-23-19-12-8-3-4-9-13-19/h5-7,10-11,17,19,21,23H,3-4,8-9,12-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOPYZZUMTUGSJRF-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.80
Rot. Bonds9

About N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 119619459) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID119619459
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCCNC1CCCCCC1
InChIInChI=1S/C22H35N3O2/c1-17(2)21(25-20(26)16-18-10-6-5-7-11-18)22(27)24-15-14-23-19-12-8-3-4-9-13-19/h5-7,10-11,17,19,21,23H,3-4,8-9,12-16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOPYZZUMTUGSJRF-UHFFFAOYSA-N
XLogP2.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide 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-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 56533856
3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55336268
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide
CID 8969342
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 119619459) is N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is OPYZZUMTUGSJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-17(2)21(25-20(26)16-18-10-6-5-7-11-18)22(27)24-15-14-23-19-12-8-3-4-9-13-19/h5-7,10-11,17,19,21,23H,3-4,8-9,12-16H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 373.54 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 119619459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).