1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C19H22N2O2 — CID 108874551

IUPAC1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-8-10-17(11-9-15)18(22)12-13-20-19(23)21(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyTXRQRIOQYBYSEY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.41
Rot. Bonds6

About 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874551) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874551
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-8-10-17(11-9-15)18(22)12-13-20-19(23)21(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyTXRQRIOQYBYSEY-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
CID 108874633
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874492
(2S)-2-hydroxy-4-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 107838215
1-benzyl-1-methyl-3-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]urea
CID 56515328
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
(2S)-4-[[benzyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 104934154
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
dimethyl 5-[3-[[benzyl(methyl)carbamoyl]amino]propanoyloxy]benzene-1,3-dicarboxylate
CID 56580203
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874551) is 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is TXRQRIOQYBYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-8-10-17(11-9-15)18(22)12-13-20-19(23)21(2)14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23).
What are the key properties of 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).