3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide

C15H21ClN2O3 — CID 113127189

IUPAC3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-12(19)18(14-6-3-5-13(16)11-14)9-7-15(20)17-8-4-10-21-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,17,20)
InChIKeySRNWUABZPPPLHB-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.24
Rot. Bonds8

About 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide

3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 113127189) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
PubChem CID113127189
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-12(19)18(14-6-3-5-13(16)11-14)9-7-15(20)17-8-4-10-21-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,17,20)
InChIKeySRNWUABZPPPLHB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-methoxypropyl)propanamide
CID 113132984
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide (CID 113127189) is 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is SRNWUABZPPPLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-12(19)18(14-6-3-5-13(16)11-14)9-7-15(20)17-8-4-10-21-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,17,20).
What are the key properties of 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 312.80 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113127189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).