1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea

C19H24N2O2 — CID 71810787

IUPAC1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
SMILESCCC(CNC(=O)Nc1ccccc1C)(OC)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-4-19(23-3,16-11-6-5-7-12-16)14-20-18(22)21-17-13-9-8-10-15(17)2/h5-13H,4,14H2,1-3H3,(H2,20,21,22)
InChIKeyYZBCWKKQIFAOOR-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.07
Rot. Bonds6

About 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea

1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea (PubChem CID 71810787) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
PubChem CID71810787
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
SMILESCCC(CNC(=O)Nc1ccccc1C)(OC)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-4-19(23-3,16-11-6-5-7-12-16)14-20-18(22)21-17-13-9-8-10-15(17)2/h5-13H,4,14H2,1-3H3,(H2,20,21,22)
InChIKeyYZBCWKKQIFAOOR-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
CID 90599796
1-(2-methylphenyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]urea
CID 95367469
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
CID 56724275
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxy-2-phenylbutyl)urea
CID 90599815
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
CID 124522852

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea (CID 71810787) is 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea is CCC(CNC(=O)Nc1ccccc1C)(OC)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea?
The InChIKey is YZBCWKKQIFAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-19(23-3,16-11-6-5-7-12-16)14-20-18(22)21-17-13-9-8-10-15(17)2/h5-13H,4,14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea?
1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 71810787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).