N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide

C14H21ClN2O — CID 119807690

IUPACN-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)C(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(12-5-7-13(15)8-6-12)11(2)17(4)14(18)9-16-3/h5-8,10-11,16H,9H2,1-4H3
InChIKeyDKQNXILSVAWJHQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.51
Rot. Bonds5

About N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide

N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide (PubChem CID 119807690) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide
PubChem CID119807690
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)C(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(12-5-7-13(15)8-6-12)11(2)17(4)14(18)9-16-3/h5-8,10-11,16H,9H2,1-4H3
InChIKeyDKQNXILSVAWJHQ-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide;hydrochloride
CID 120563544
2-[[(2S,3R)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100638991
2-[[(2S,3S)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100639003
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide (CID 119807690) is N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)C(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is DKQNXILSVAWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(12-5-7-13(15)8-6-12)11(2)17(4)14(18)9-16-3/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide?
N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)butan-2-yl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 119807690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).