2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C15H21ClN2O3 — CID 113158086

IUPAC2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C15H21ClN2O3/c1-5-6-18(11(3)19)9-15(20)17-13-7-10(2)12(16)8-14(13)21-4/h7-8H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyJZIKAYWXJMJJTE-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.85
Rot. Bonds6

About 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 113158086) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID113158086
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C15H21ClN2O3/c1-5-6-18(11(3)19)9-15(20)17-13-7-10(2)12(16)8-14(13)21-4/h7-8H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyJZIKAYWXJMJJTE-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
2-[acetyl(2-methylpropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158996
N-(4-chloro-2-methoxy-5-methylphenyl)-N',N'-dipropyloxamide
CID 108528740
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
CID 60563426
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
2-[butyl(2-hydroxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 110881535
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111496926

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 113158086) is 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is CCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is JZIKAYWXJMJJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-5-6-18(11(3)19)9-15(20)17-13-7-10(2)12(16)8-14(13)21-4/h7-8H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 312.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113158086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).