N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide

C15H23NO2 — CID 60702090

IUPACN-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-3-10-16(11-12-17)15(18)9-8-14-6-4-13(2)5-7-14/h4-7,17H,3,8-12H2,1-2H3
InChIKeyYXNRLJQYOKZISJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.16
Rot. Bonds7

About N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide

N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide (PubChem CID 60702090) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
PubChem CID60702090
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
SMILESCCCN(CCO)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-3-10-16(11-12-17)15(18)9-8-14-6-4-13(2)5-7-14/h4-7,17H,3,8-12H2,1-2H3
InChIKeyYXNRLJQYOKZISJ-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 80661193
3-[4-(4-methylphenyl)butanoyl-propylamino]propanoic acid
CID 82326079
3-[3-hydroxypropyl-[3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 82325805
3-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 60682225
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 62505147
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135090684
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide (CID 60702090) is N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide is CCCN(CCO)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide?
The InChIKey is YXNRLJQYOKZISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-10-16(11-12-17)15(18)9-8-14-6-4-13(2)5-7-14/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide?
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide is sourced from PubChem (CID 60702090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).