1-(3-methyl-1-phenylbutyl)-3-propylurea

C15H24N2O — CID 133230839

IUPAC1-(3-methyl-1-phenylbutyl)-3-propylurea
SMILESCCCNC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-10-16-15(18)17-14(11-12(2)3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyOETIREDMXOWNHM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.48
Rot. Bonds6

About 1-(3-methyl-1-phenylbutyl)-3-propylurea

1-(3-methyl-1-phenylbutyl)-3-propylurea (PubChem CID 133230839) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylbutyl)-3-propylurea.

Molecular Properties

Compound Name1-(3-methyl-1-phenylbutyl)-3-propylurea
PubChem CID133230839
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-methyl-1-phenylbutyl)-3-propylurea
SMILESCCCNC(=O)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-10-16-15(18)17-14(11-12(2)3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyOETIREDMXOWNHM-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
1-butyl-3-[(1R)-1-phenylbut-3-ynyl]urea
CID 97098548
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylbutyl)-3-propylurea?
The IUPAC name of 1-(3-methyl-1-phenylbutyl)-3-propylurea (CID 133230839) is 1-(3-methyl-1-phenylbutyl)-3-propylurea.
What is the SMILES notation for 1-(3-methyl-1-phenylbutyl)-3-propylurea?
The canonical SMILES for 1-(3-methyl-1-phenylbutyl)-3-propylurea is CCCNC(=O)NC(CC(C)C)c1ccccc1.
What is the InChIKey of 1-(3-methyl-1-phenylbutyl)-3-propylurea?
The InChIKey is OETIREDMXOWNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-10-16-15(18)17-14(11-12(2)3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(3-methyl-1-phenylbutyl)-3-propylurea?
1-(3-methyl-1-phenylbutyl)-3-propylurea has a molecular weight of 248.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylbutyl)-3-propylurea is sourced from PubChem (CID 133230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).