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

C15H21ClN2O3 — CID 113160021

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCOCCCN(CC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C15H21ClN2O3/c1-12(19)18(8-5-9-21-2)11-15(20)17-10-13-6-3-4-7-14(13)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyNUBDIVSVRJJOAL-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.84
Rot. Bonds8

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

2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 113160021) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID113160021
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCOCCCN(CC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C15H21ClN2O3/c1-12(19)18(8-5-9-21-2)11-15(20)17-10-13-6-3-4-7-14(13)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)
InChIKeyNUBDIVSVRJJOAL-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'}

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164509
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164665
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
methyl 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011489
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide (CID 113160021) is 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide is COCCCN(CC(=O)NCc1ccccc1Cl)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is NUBDIVSVRJJOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-12(19)18(8-5-9-21-2)11-15(20)17-10-13-6-3-4-7-14(13)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]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(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113160021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).