2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide

C15H21ClN2O2 — CID 113158842

IUPAC2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(Cl)cc1)CC(C)C
InChIInChI=1S/C15H21ClN2O2/c1-11(2)9-18(12(3)19)10-15(20)17-8-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyUCELZIJCBLMABG-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.46
Rot. Bonds6

About 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide

2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 113158842) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID113158842
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(Cl)cc1)CC(C)C
InChIInChI=1S/C15H21ClN2O2/c1-11(2)9-18(12(3)19)10-15(20)17-8-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyUCELZIJCBLMABG-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
N-[(4-chlorophenyl)methyl]-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692542
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113115145
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113160614
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113158932
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
3-[acetyl(3-methoxypropyl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113117098

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide (CID 113158842) is 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(Cl)cc1)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is UCELZIJCBLMABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(2)9-18(12(3)19)10-15(20)17-8-13-4-6-14(16)7-5-13/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113158842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).