2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide

C15H21ClN2O3 — CID 113162526

IUPAC2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(Cc1ccccc1Cl)C(C)=O
InChIInChI=1S/C15H21ClN2O3/c1-12(19)18(10-13-6-3-4-7-14(13)16)11-15(20)17-8-5-9-21-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyNEICZMQMMOBYOT-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.84
Rot. Bonds8

About 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide (PubChem CID 113162526) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
PubChem CID113162526
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(Cc1ccccc1Cl)C(C)=O
InChIInChI=1S/C15H21ClN2O3/c1-12(19)18(10-13-6-3-4-7-14(13)16)11-15(20)17-8-5-9-21-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyNEICZMQMMOBYOT-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)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-[acetyl-[(2-chlorophenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113162558
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113160021
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
CID 113162145
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113054765
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide (CID 113162526) is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(Cc1ccccc1Cl)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is NEICZMQMMOBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-12(19)18(10-13-6-3-4-7-14(13)16)11-15(20)17-8-5-9-21-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide?
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 312.80 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113162526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).