N-(3-acetylphenyl)-3-amino-2-methoxypropanamide

C12H16N2O3 — CID 106112568

IUPACN-(3-acetylphenyl)-3-amino-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-4-3-5-10(6-9)14-12(16)11(7-13)17-2/h3-6,11H,7,13H2,1-2H3,(H,14,16)
InChIKeyLCSLAWKQNGKLKT-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.80
Rot. Bonds5

About N-(3-acetylphenyl)-3-amino-2-methoxypropanamide

N-(3-acetylphenyl)-3-amino-2-methoxypropanamide (PubChem CID 106112568) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-amino-2-methoxypropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-amino-2-methoxypropanamide
PubChem CID106112568
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(3-acetylphenyl)-3-amino-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-4-3-5-10(6-9)14-12(16)11(7-13)17-2/h3-6,11H,7,13H2,1-2H3,(H,14,16)
InChIKeyLCSLAWKQNGKLKT-UHFFFAOYSA-N
XLogP0.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
4-[(3-amino-2-methoxypropanoyl)amino]benzamide
CID 106111050
3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
CID 114145186
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
4-[(3-amino-2-methoxypropanoyl)amino]-2-methylbenzoic acid
CID 114145069
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-amino-2-methoxypropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-amino-2-methoxypropanamide (CID 106112568) is N-(3-acetylphenyl)-3-amino-2-methoxypropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-amino-2-methoxypropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-amino-2-methoxypropanamide is COC(CN)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-amino-2-methoxypropanamide?
The InChIKey is LCSLAWKQNGKLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)9-4-3-5-10(6-9)14-12(16)11(7-13)17-2/h3-6,11H,7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(3-acetylphenyl)-3-amino-2-methoxypropanamide?
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide has a molecular weight of 236.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-amino-2-methoxypropanamide is sourced from PubChem (CID 106112568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).