N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide

C13H19NO2 — CID 83032441

IUPACN-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@@H](C)O)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-12(6-4-10)7-8-13(16)14-9-11(2)15/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyUHBASMDHRKUWOP-LLVKDONJSA-N
MW221.30 g/mol
LogP1.42
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide

N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide (PubChem CID 83032441) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
PubChem CID83032441
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@@H](C)O)cc1
InChIInChI=1S/C13H19NO2/c1-10-3-5-12(6-4-10)7-8-13(16)14-9-11(2)15/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyUHBASMDHRKUWOP-LLVKDONJSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-(2-aminobutyl)-3-(4-methylphenyl)propanamide
CID 63733649
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119997514
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide (CID 83032441) is N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC[C@@H](C)O)cc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide?
The InChIKey is UHBASMDHRKUWOP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-3-5-12(6-4-10)7-8-13(16)14-9-11(2)15/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide?
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 83032441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).