1-[(4-methylphenyl)-phenylmethyl]-3-propylurea

C18H22N2O — CID 133230842

IUPAC1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
SMILESCCCNC(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-13-19-18(21)20-17(15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeyILASRHZKRFCYFY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds5

About 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea

1-[(4-methylphenyl)-phenylmethyl]-3-propylurea (PubChem CID 133230842) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
PubChem CID133230842
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
SMILESCCCNC(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-13-19-18(21)20-17(15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3,(H2,19,20,21)
InChIKeyILASRHZKRFCYFY-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642
1-benzhydryl-3-octadecylurea
CID 142646590
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
1-(3-methyl-1-phenylbutyl)-3-propylurea
CID 133230839
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
1-ethyl-3-[(S)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696622
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea?
The IUPAC name of 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea (CID 133230842) is 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea.
What is the SMILES notation for 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea?
The canonical SMILES for 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea is CCCNC(=O)NC(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea?
The InChIKey is ILASRHZKRFCYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-13-19-18(21)20-17(15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea?
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea has a molecular weight of 282.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)-phenylmethyl]-3-propylurea is sourced from PubChem (CID 133230842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).