N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide

C17H25ClN2O2 — CID 113056238

IUPACN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)12-17(22)19-9-11-20(14(3)21)10-8-15-4-6-16(18)7-5-15/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyUEXPXUIAPVAVSL-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.89
Rot. Bonds8

About N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide

N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide (PubChem CID 113056238) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
PubChem CID113056238
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)CCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)12-17(22)19-9-11-20(14(3)21)10-8-15-4-6-16(18)7-5-15/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyUEXPXUIAPVAVSL-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113056239
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056288
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
N-[2-(benzenesulfonamido)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056293
4-[2-(4-chlorophenyl)ethylamino]-2-methyl-4-oxobutanoic acid
CID 115165161
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113158667
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide (CID 113056238) is N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide is CC(=O)N(CCNC(=O)CC(C)C)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide?
The InChIKey is UEXPXUIAPVAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(2)12-17(22)19-9-11-20(14(3)21)10-8-15-4-6-16(18)7-5-15/h4-7,13H,8-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide?
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide has a molecular weight of 324.85 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 113056238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).