1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea

C19H24N2O2 — CID 92685488

IUPAC1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)13-18(15-9-11-17(23-3)12-10-15)21-19(22)20-16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H2,20,21,22)/t18-/m0/s1
InChIKeyHBRDNIIYJZKYBU-SFHVURJKSA-N
MW312.41 g/mol
LogP4.60
Rot. Bonds6

About 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea

1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea (PubChem CID 92685488) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
PubChem CID92685488
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)13-18(15-9-11-17(23-3)12-10-15)21-19(22)20-16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H2,20,21,22)/t18-/m0/s1
InChIKeyHBRDNIIYJZKYBU-SFHVURJKSA-N
XLogP4.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 132652765
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
3-(4-methoxyphenyl)-3-[[4-methyl-2-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]pentanoyl]amino]propanoic acid
CID 22316527
(E)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylprop-2-enamide
CID 28576382
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
(E)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2,3-diphenylprop-2-enamide
CID 99959671

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea?
The IUPAC name of 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea (CID 92685488) is 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea.
What is the SMILES notation for 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea?
The canonical SMILES for 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea is COc1ccc([C@H](CC(C)C)NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea?
The InChIKey is HBRDNIIYJZKYBU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)13-18(15-9-11-17(23-3)12-10-15)21-19(22)20-16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H2,20,21,22)/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea?
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea has a molecular weight of 312.41 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea is sourced from PubChem (CID 92685488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).