1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea

C14H22N2O — CID 110775625

IUPAC1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-8-15-14(17)16-9-7-13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9H2,1-3H3,(H2,15,16,17)
InChIKeyBAAXRRNDQCZMAL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds5

About 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea

1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea (PubChem CID 110775625) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
PubChem CID110775625
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-8-15-14(17)16-9-7-13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9H2,1-3H3,(H2,15,16,17)
InChIKeyBAAXRRNDQCZMAL-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
2-chloro-N-[2-(3,4-dimethylphenyl)ethyl]propanamide
CID 82110156
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115187036
2-amino-3-[2-(3,4-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179434
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
CID 110776303
N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182374
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
CID 67679767

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea (CID 110775625) is 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea is CCCNC(=O)NCCc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea?
The InChIKey is BAAXRRNDQCZMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-8-15-14(17)16-9-7-13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea?
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea has a molecular weight of 234.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea is sourced from PubChem (CID 110775625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).