3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide

C16H23ClN2O3 — CID 113122543

IUPAC3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)C(C)(C)C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-11(20)19(16(2,3)4)9-8-15(21)18-12-6-7-14(22-5)13(17)10-12/h6-7,10H,8-9H2,1-5H3,(H,18,21)
InChIKeyLFFKRESESGYCMF-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.32
Rot. Bonds5

About 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide

3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 113122543) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID113122543
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)C(C)(C)C)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-11(20)19(16(2,3)4)9-8-15(21)18-12-6-7-14(22-5)13(17)10-12/h6-7,10H,8-9H2,1-5H3,(H,18,21)
InChIKeyLFFKRESESGYCMF-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113121161
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide (CID 113122543) is 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)C(C)(C)C)cc1Cl.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is LFFKRESESGYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(20)19(16(2,3)4)9-8-15(21)18-12-6-7-14(22-5)13(17)10-12/h6-7,10H,8-9H2,1-5H3,(H,18,21).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 326.82 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 113122543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).