1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea

C21H28N2O2 — CID 134042561

IUPAC1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
SMILESCOc1ccc(C(NC(=O)NCCCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)20(18-11-13-19(25-3)14-12-18)23-21(24)22-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16,20H,7,10,15H2,1-3H3,(H2,22,23,24)
InChIKeyRGIXJHIOROROAR-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.32
Rot. Bonds8

About 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea

1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea (PubChem CID 134042561) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
PubChem CID134042561
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
SMILESCOc1ccc(C(NC(=O)NCCCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)20(18-11-13-19(25-3)14-12-18)23-21(24)22-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16,20H,7,10,15H2,1-3H3,(H2,22,23,24)
InChIKeyRGIXJHIOROROAR-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 119299639
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
methyl 3-methyl-2-(3-phenylpropylcarbamoylamino)pentanoate
CID 3571846
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55794290
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
3,3-dimethyl-2-(3-phenylpropylcarbamoylamino)butanoic acid
CID 61205206
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea (CID 134042561) is 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea is COc1ccc(C(NC(=O)NCCCc2ccccc2)C(C)C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
The InChIKey is RGIXJHIOROROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(2)20(18-11-13-19(25-3)14-12-18)23-21(24)22-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16,20H,7,10,15H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea has a molecular weight of 340.47 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 134042561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).