1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea

C19H24N2O2 — CID 57012984

IUPAC1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea
SMILESCON(C)C(=O)Nc1ccc(CCC(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(17-7-5-4-6-8-17)9-10-16-11-13-18(14-12-16)20-19(22)21(2)23-3/h4-8,11-15H,9-10H2,1-3H3,(H,20,22)
InChIKeyBPVDKSAKVIQMCJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.45
Rot. Bonds6

About 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea

1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea (PubChem CID 57012984) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea
PubChem CID57012984
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea
SMILESCON(C)C(=O)Nc1ccc(CCC(C)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15(17-7-5-4-6-8-17)9-10-16-11-13-18(14-12-16)20-19(22)21(2)23-3/h4-8,11-15H,9-10H2,1-3H3,(H,20,22)
InChIKeyBPVDKSAKVIQMCJ-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
CID 13424076
4-[4-(4-phenylpentanoylamino)phenyl]butanoic acid
CID 23404985
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558
1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea
CID 13235912
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
(2R)-N-[2-(4-acetamidophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95316508
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea?
The IUPAC name of 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea (CID 57012984) is 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea?
The canonical SMILES for 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea is CON(C)C(=O)Nc1ccc(CCC(C)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea?
The InChIKey is BPVDKSAKVIQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(17-7-5-4-6-8-17)9-10-16-11-13-18(14-12-16)20-19(22)21(2)23-3/h4-8,11-15H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea?
1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea has a molecular weight of 312.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-[4-(3-phenylbutyl)phenyl]urea is sourced from PubChem (CID 57012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).