N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide

C25H31N3O2 — CID 54815622

IUPACN-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CNCCC2=CCCCC2)c1
InChIInChI=1S/C25H31N3O2/c29-24(15-14-20-8-3-1-4-9-20)27-22-12-7-13-23(18-22)28-25(30)19-26-17-16-21-10-5-2-6-11-21/h1,3-4,7-10,12-13,18,26H,2,5-6,11,14-17,19H2,(H,27,29)(H,28,30)
InChIKeyXZJPOKJRZSTYOW-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.68
Rot. Bonds10

About N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54815622) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54815622
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)CNCCC2=CCCCC2)c1
InChIInChI=1S/C25H31N3O2/c29-24(15-14-20-8-3-1-4-9-20)27-22-12-7-13-23(18-22)28-25(30)19-26-17-16-21-10-5-2-6-11-21/h1,3-4,7-10,12-13,18,26H,2,5-6,11,14-17,19H2,(H,27,29)(H,28,30)
InChIKeyXZJPOKJRZSTYOW-UHFFFAOYSA-N
XLogP4.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54815445
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54815513
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
CID 109014919
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174200
N-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174094
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide (CID 54815622) is N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)CNCCC2=CCCCC2)c1.
What is the InChIKey of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is XZJPOKJRZSTYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(15-14-20-8-3-1-4-9-20)27-22-12-7-13-23(18-22)28-25(30)19-26-17-16-21-10-5-2-6-11-21/h1,3-4,7-10,12-13,18,26H,2,5-6,11,14-17,19H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 405.54 g/mol, XLogP of 4.68, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54815622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).