1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea

C18H19N3O — CID 38288341

IUPAC1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-13(16-6-4-3-5-7-16)20-18(22)21-14(2)17-10-8-15(12-19)9-11-17/h3-11,13-14H,1-2H3,(H2,20,21,22)/t13-,14+/m0/s1
InChIKeyIXLBCLRHTMTFAK-UONOGXRCSA-N
MW293.37 g/mol
LogP3.68
Rot. Bonds4

About 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea (PubChem CID 38288341) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
PubChem CID38288341
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-13(16-6-4-3-5-7-16)20-18(22)21-14(2)17-10-8-15(12-19)9-11-17/h3-11,13-14H,1-2H3,(H2,20,21,22)/t13-,14+/m0/s1
InChIKeyIXLBCLRHTMTFAK-UONOGXRCSA-N
XLogP3.68
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
3-[1-(4-cyanophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxy-2-phenylethyl)urea
CID 71924791
(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 18775922
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-hexylurea
CID 38290514
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95133756
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969459
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea (CID 38288341) is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea is C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea?
The InChIKey is IXLBCLRHTMTFAK-UONOGXRCSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(16-6-4-3-5-7-16)20-18(22)21-14(2)17-10-8-15(12-19)9-11-17/h3-11,13-14H,1-2H3,(H2,20,21,22)/t13-,14+/m0/s1.
What are the key properties of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea?
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea has a molecular weight of 293.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 38288341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).