3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide

C15H21ClN2O2 — CID 113122534

IUPAC3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C15H21ClN2O2/c1-11(19)18(15(2,3)4)10-9-14(20)17-13-8-6-5-7-12(13)16/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyGDFNGMDHTVSJES-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.32
Rot. Bonds4

About 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide

3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide (PubChem CID 113122534) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
PubChem CID113122534
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C15H21ClN2O2/c1-11(19)18(15(2,3)4)10-9-14(20)17-13-8-6-5-7-12(13)16/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyGDFNGMDHTVSJES-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
CID 113122509
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
CID 119928884
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 79664559
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113122543
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
CID 4307619

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide (CID 113122534) is 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1Cl)C(C)(C)C.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide?
The InChIKey is GDFNGMDHTVSJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(19)18(15(2,3)4)10-9-14(20)17-13-8-6-5-7-12(13)16/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 113122534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).