3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide

C15H21ClN2O2 — CID 113115145

IUPAC3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H21ClN2O2/c1-11(2)18(12(3)19)9-8-15(20)17-10-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyHTSDTNSNLWAWHD-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.60
Rot. Bonds6

About 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide

3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 113115145) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID113115145
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H21ClN2O2/c1-11(2)18(12(3)19)9-8-15(20)17-10-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyHTSDTNSNLWAWHD-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
N-[(4-chlorophenyl)methyl]-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692542
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 113116142
3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113117098
2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113158842
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141459
2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide (CID 113115145) is 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is HTSDTNSNLWAWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(2)18(12(3)19)9-8-15(20)17-10-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide?
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113115145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).