1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea

C20H27N3O — CID 88645096

IUPAC1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea
SMILESCCCCC(NCCc1ccccc1)NC(=O)Nc1ccccc1
InChIInChI=1S/C20H27N3O/c1-2-3-14-19(21-16-15-17-10-6-4-7-11-17)23-20(24)22-18-12-8-5-9-13-18/h4-13,19,21H,2-3,14-16H2,1H3,(H2,22,23,24)
InChIKeyQXNPUUSQEPEYPA-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.16
Rot. Bonds9

About 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea

1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea (PubChem CID 88645096) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea
PubChem CID88645096
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea
SMILESCCCCC(NCCc1ccccc1)NC(=O)Nc1ccccc1
InChIInChI=1S/C20H27N3O/c1-2-3-14-19(21-16-15-17-10-6-4-7-11-17)23-20(24)22-18-12-8-5-9-13-18/h4-13,19,21H,2-3,14-16H2,1H3,(H2,22,23,24)
InChIKeyQXNPUUSQEPEYPA-UHFFFAOYSA-N
XLogP4.16
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea 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

1-phenyl-3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]pentyl]urea
CID 88645298
1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea
CID 70411925
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
N-(2-phenylethyl)octan-4-amine
CID 11128217
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
1-dodecyl-3-phenylurea
CID 3697946
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea?
The IUPAC name of 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea (CID 88645096) is 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea.
What is the SMILES notation for 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea?
The canonical SMILES for 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea is CCCCC(NCCc1ccccc1)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea?
The InChIKey is QXNPUUSQEPEYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-3-14-19(21-16-15-17-10-6-4-7-11-17)23-20(24)22-18-12-8-5-9-13-18/h4-13,19,21H,2-3,14-16H2,1H3,(H2,22,23,24).
What are the key properties of 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea?
1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea has a molecular weight of 325.46 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-(2-phenylethylamino)pentyl]urea is sourced from PubChem (CID 88645096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).