3-(3-methoxyanilino)propanamide

C10H14N2O2 — CID 43131962

IUPAC3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(N)=O)c1
InChIInChI=1S/C10H14N2O2/c1-14-9-4-2-3-8(7-9)12-6-5-10(11)13/h2-4,7,12H,5-6H2,1H3,(H2,11,13)
InChIKeyXFVSYZCLKKQBHA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.98
Rot. Bonds5

About 3-(3-methoxyanilino)propanamide

3-(3-methoxyanilino)propanamide (PubChem CID 43131962) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(3-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(3-methoxyanilino)propanamide
PubChem CID43131962
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(N)=O)c1
InChIInChI=1S/C10H14N2O2/c1-14-9-4-2-3-8(7-9)12-6-5-10(11)13/h2-4,7,12H,5-6H2,1H3,(H2,11,13)
InChIKeyXFVSYZCLKKQBHA-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
CID 109021721
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775
4-[3-(3-methoxyanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017872

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyanilino)propanamide?
The IUPAC name of 3-(3-methoxyanilino)propanamide (CID 43131962) is 3-(3-methoxyanilino)propanamide.
What is the SMILES notation for 3-(3-methoxyanilino)propanamide?
The canonical SMILES for 3-(3-methoxyanilino)propanamide is COc1cccc(NCCC(N)=O)c1.
What is the InChIKey of 3-(3-methoxyanilino)propanamide?
The InChIKey is XFVSYZCLKKQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-9-4-2-3-8(7-9)12-6-5-10(11)13/h2-4,7,12H,5-6H2,1H3,(H2,11,13).
What are the key properties of 3-(3-methoxyanilino)propanamide?
3-(3-methoxyanilino)propanamide has a molecular weight of 194.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyanilino)propanamide is sourced from PubChem (CID 43131962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).