1-[(4-butan-2-ylphenyl)methyl]-3-propylurea

C15H24N2O — CID 110774875

IUPAC1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-4-10-16-15(18)17-11-13-6-8-14(9-7-13)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyNONNFPGGDXHAPB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.41
Rot. Bonds6

About 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea

1-[(4-butan-2-ylphenyl)methyl]-3-propylurea (PubChem CID 110774875) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
PubChem CID110774875
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(C(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-4-10-16-15(18)17-11-13-6-8-14(9-7-13)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,18)
InChIKeyNONNFPGGDXHAPB-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-butan-2-ylphenyl)methylamino]-2-oxoacetic acid
CID 115141302
1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea
CID 51102905
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 115178737
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-[(4-butan-2-ylphenyl)methyl]-3-sulfanylpropanamide
CID 115167832
1-[(4-ethylsulfonylphenyl)methyl]-3-propylurea
CID 110775349
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
CID 115154967
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9270671
3-methyl-N-[[3-[(propylcarbamoylamino)methyl]phenyl]methyl]butanamide
CID 23879599
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea?
The IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea (CID 110774875) is 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea is CCCNC(=O)NCc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea?
The InChIKey is NONNFPGGDXHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-10-16-15(18)17-11-13-6-8-14(9-7-13)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea?
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea has a molecular weight of 248.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylphenyl)methyl]-3-propylurea is sourced from PubChem (CID 110774875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).