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

C19H18N4O — CID 94023184

IUPAC1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O/c1-13(17-7-3-15(11-20)4-8-17)22-19(24)23-14(2)18-9-5-16(12-21)6-10-18/h3-10,13-14H,1-2H3,(H2,22,23,24)/t13-,14+
InChIKeyNLNYQIFWLOWCEP-OKILXGFUSA-N
MW318.38 g/mol
LogP3.55
Rot. Bonds4

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

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea (PubChem CID 94023184) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
PubChem CID94023184
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O/c1-13(17-7-3-15(11-20)4-8-17)22-19(24)23-14(2)18-9-5-16(12-21)6-10-18/h3-10,13-14H,1-2H3,(H2,22,23,24)/t13-,14+
InChIKeyNLNYQIFWLOWCEP-OKILXGFUSA-N
XLogP3.55
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
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
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
tert-butyl N-[(1S)-1-(4-cyanophenyl)ethyl]carbamate
CID 59462304
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785
1-[1-(4-cyanophenyl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389003
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
(2S)-2-amino-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 79024420

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea (CID 94023184) is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea is C[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea?
The InChIKey is NLNYQIFWLOWCEP-OKILXGFUSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13(17-7-3-15(11-20)4-8-17)22-19(24)23-14(2)18-9-5-16(12-21)6-10-18/h3-10,13-14H,1-2H3,(H2,22,23,24)/t13-,14+.
What are the key properties of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea?
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea has a molecular weight of 318.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea is sourced from PubChem (CID 94023184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).