2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide

C12H18N2O2 — CID 119299625

IUPAC2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)CN)cc1
InChIInChI=1S/C12H18N2O2/c1-16-11-6-4-10(5-7-11)3-2-8-14-12(15)9-13/h4-7H,2-3,8-9,13H2,1H3,(H,14,15)
InChIKeyPUCJJPSJFOWVLL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds6

About 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide

2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide (PubChem CID 119299625) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
PubChem CID119299625
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)CN)cc1
InChIInChI=1S/C12H18N2O2/c1-16-11-6-4-10(5-7-11)3-2-8-14-12(15)9-13/h4-7H,2-3,8-9,13H2,1H3,(H,14,15)
InChIKeyPUCJJPSJFOWVLL-UHFFFAOYSA-N
XLogP0.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide
CID 110627872
2-(2-methoxyethylamino)-N-[3-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119742175
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide (CID 119299625) is 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide is COc1ccc(CCCNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is PUCJJPSJFOWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-11-6-4-10(5-7-11)3-2-8-14-12(15)9-13/h4-7H,2-3,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide?
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 119299625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).