1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea

C24H32N2O3 — CID 55794290

IUPAC1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESCOc1ccc(C(NC(=O)NCC2(c3ccccc3)CCOCC2)C(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-18(2)22(19-9-11-21(28-3)12-10-19)26-23(27)25-17-24(13-15-29-16-14-24)20-7-5-4-6-8-20/h4-12,18,22H,13-17H2,1-3H3,(H2,25,26,27)
InChIKeyOZCIBCUEMUQDRH-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.44
Rot. Bonds7

About 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea

1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea (PubChem CID 55794290) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
PubChem CID55794290
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESCOc1ccc(C(NC(=O)NCC2(c3ccccc3)CCOCC2)C(C)C)cc1
InChIInChI=1S/C24H32N2O3/c1-18(2)22(19-9-11-21(28-3)12-10-19)26-23(27)25-17-24(13-15-29-16-14-24)20-7-5-4-6-8-20/h4-12,18,22H,13-17H2,1-3H3,(H2,25,26,27)
InChIKeyOZCIBCUEMUQDRH-UHFFFAOYSA-N
XLogP4.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111504888
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60578416
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 100718161
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 134042561

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea (CID 55794290) is 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea is COc1ccc(C(NC(=O)NCC2(c3ccccc3)CCOCC2)C(C)C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea?
The InChIKey is OZCIBCUEMUQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18(2)22(19-9-11-21(28-3)12-10-19)26-23(27)25-17-24(13-15-29-16-14-24)20-7-5-4-6-8-20/h4-12,18,22H,13-17H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea?
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea has a molecular weight of 396.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea is sourced from PubChem (CID 55794290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).