1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea

C18H22N2O2 — CID 168974100

IUPAC1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
SMILESCOc1ccc(CCC(C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(8-9-15-10-12-17(22-2)13-11-15)19-18(21)20-16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyYYVXPDQVQCIJQU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.84
Rot. Bonds6

About 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea

1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea (PubChem CID 168974100) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
PubChem CID168974100
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
SMILESCOc1ccc(CCC(C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(8-9-15-10-12-17(22-2)13-11-15)19-18(21)20-16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyYYVXPDQVQCIJQU-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(4-methoxyphenyl)-3-(4-phenylbutan-2-yl)thiourea
CID 19651816
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
CID 60595680
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea (CID 168974100) is 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea is COc1ccc(CCC(C)NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea?
The InChIKey is YYVXPDQVQCIJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(8-9-15-10-12-17(22-2)13-11-15)19-18(21)20-16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea?
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea has a molecular weight of 298.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea is sourced from PubChem (CID 168974100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).