N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide

C12H18N2O2 — CID 96659275

IUPACN-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CCCN
InChIInChI=1S/C12H18N2O2/c1-9(15)14-11-5-6-12(16-2)10(8-11)4-3-7-13/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyDAAAGMPTDDURPG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.54
Rot. Bonds5

About N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide

N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide (PubChem CID 96659275) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
PubChem CID96659275
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CCCN
InChIInChI=1S/C12H18N2O2/c1-9(15)14-11-5-6-12(16-2)10(8-11)4-3-7-13/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyDAAAGMPTDDURPG-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 110790393
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-[3-[2-(cyclopropylamino)propyl]-4-methoxyphenyl]acetamide
CID 112513577
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 110790394
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide (CID 96659275) is N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1CCCN.
What is the InChIKey of N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide?
The InChIKey is DAAAGMPTDDURPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)14-11-5-6-12(16-2)10(8-11)4-3-7-13/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide?
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 96659275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).