1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea

C19H24N2O — CID 127044926

IUPAC1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea
SMILESCC[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-2-18(17-13-7-4-8-14-17)21-19(22)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H2,20,21,22)/t18-/m0/s1
InChIKeyXCEHAZIIZAWEGH-SFHVURJKSA-N
MW296.41 g/mol
LogP4.07
Rot. Bonds7

About 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea

1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea (PubChem CID 127044926) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea
PubChem CID127044926
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea
SMILESCC[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-2-18(17-13-7-4-8-14-17)21-19(22)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H2,20,21,22)/t18-/m0/s1
InChIKeyXCEHAZIIZAWEGH-SFHVURJKSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 117761397
Urea, N,N'-bis(phenylmethyl)-
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Norbenzphetamine
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Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N-Benzylamphetamine
CID 10149140
Cumyluron
CID 11709249
Benzylurea
CID 10853
Bis(alpha-methylbenzyl)amine
CID 24804
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea (CID 127044926) is 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea is CC[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea?
The InChIKey is XCEHAZIIZAWEGH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-18(17-13-7-4-8-14-17)21-19(22)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H2,20,21,22)/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea?
1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea has a molecular weight of 296.41 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 127044926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).