N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide

C14H20ClNO — CID 134003876

IUPACN-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-10(2)9-14(17)16(4)11(3)12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyAIOCVARRKSMJND-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide

N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide (PubChem CID 134003876) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
PubChem CID134003876
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-10(2)9-14(17)16(4)11(3)12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyAIOCVARRKSMJND-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
N-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylcarbamoyl]amino]phenyl]-3-methylbutanamide
CID 51945831
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
2-[(E)-but-2-enyl]sulfonyl-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 75408457
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 47025634

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide (CID 134003876) is N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide?
The InChIKey is AIOCVARRKSMJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)9-14(17)16(4)11(3)12-5-7-13(15)8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide?
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 134003876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).