N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide

C13H17NO3 — CID 115175869

IUPACN-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
SMILESCOc1ccc(CCNC(=O)C(C)=O)cc1C
InChIInChI=1S/C13H17NO3/c1-9-8-11(4-5-12(9)17-3)6-7-14-13(16)10(2)15/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyPZJFKWCXWQEQCU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide

N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide (PubChem CID 115175869) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
PubChem CID115175869
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
SMILESCOc1ccc(CCNC(=O)C(C)=O)cc1C
InChIInChI=1S/C13H17NO3/c1-9-8-11(4-5-12(9)17-3)6-7-14-13(16)10(2)15/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyPZJFKWCXWQEQCU-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 115175874
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
2-methoxyimino-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650224
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291243
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide?
The IUPAC name of N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide (CID 115175869) is N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide.
What is the SMILES notation for N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide?
The canonical SMILES for N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide is COc1ccc(CCNC(=O)C(C)=O)cc1C.
What is the InChIKey of N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide?
The InChIKey is PZJFKWCXWQEQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-8-11(4-5-12(9)17-3)6-7-14-13(16)10(2)15/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide?
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide has a molecular weight of 235.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide is sourced from PubChem (CID 115175869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).