1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea

C23H31ClN2O — CID 15589189

IUPAC1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea
SMILESCCCCN(C(=O)NC(C)(CC)c1ccccc1)C(C)c1ccccc1Cl
InChIInChI=1S/C23H31ClN2O/c1-5-7-17-26(18(3)20-15-11-12-16-21(20)24)22(27)25-23(4,6-2)19-13-9-8-10-14-19/h8-16,18H,5-7,17H2,1-4H3,(H,25,27)
InChIKeyYHCNZWZYNPSRNB-UHFFFAOYSA-N
MW386.97 g/mol
LogP6.54
Rot. Bonds8

About 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea

1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea (PubChem CID 15589189) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea
PubChem CID15589189
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC Name1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea
SMILESCCCCN(C(=O)NC(C)(CC)c1ccccc1)C(C)c1ccccc1Cl
InChIInChI=1S/C23H31ClN2O/c1-5-7-17-26(18(3)20-15-11-12-16-21(20)24)22(27)25-23(4,6-2)19-13-9-8-10-14-19/h8-16,18H,5-7,17H2,1-4H3,(H,25,27)
InChIKeyYHCNZWZYNPSRNB-UHFFFAOYSA-N
XLogP6.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.97
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylpropan-2-yl)-1-prop-2-enylurea
CID 13325293
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
3-tert-butyl-1-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-hexylurea
CID 42720447
2-phenylhexan-2-ylurea
CID 121306915
butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid
CID 90715068
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
1-butyl-3-(3-chloro-4-fluorophenyl)-1-[(1S)-1-(1-oxo-2H-isoquinolin-4-yl)ethyl]urea
CID 151577832
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea?
The IUPAC name of 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea (CID 15589189) is 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea?
The canonical SMILES for 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea is CCCCN(C(=O)NC(C)(CC)c1ccccc1)C(C)c1ccccc1Cl.
What is the InChIKey of 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea?
The InChIKey is YHCNZWZYNPSRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O/c1-5-7-17-26(18(3)20-15-11-12-16-21(20)24)22(27)25-23(4,6-2)19-13-9-8-10-14-19/h8-16,18H,5-7,17H2,1-4H3,(H,25,27).
What are the key properties of 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea?
1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea has a molecular weight of 386.97 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-[1-(2-chlorophenyl)ethyl]-3-(2-phenylbutan-2-yl)urea is sourced from PubChem (CID 15589189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).