2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide

C14H21ClN2O — CID 54870533

IUPAC2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-7-13(16)14(18)17(3)10(2)11-8-5-6-9-12(11)15/h5-6,8-10,13H,4,7,16H2,1-3H3
InChIKeyDSRGNSMIQKFKHT-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide

2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide (PubChem CID 54870533) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
PubChem CID54870533
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-7-13(16)14(18)17(3)10(2)11-8-5-6-9-12(11)15/h5-6,8-10,13H,4,7,16H2,1-3H3
InChIKeyDSRGNSMIQKFKHT-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
2-carbamothioyl-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 62986265
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907700
2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
CID 119334352
N-[1-(2-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76979752
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide (CID 54870533) is 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide is CCCC(N)C(=O)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide?
The InChIKey is DSRGNSMIQKFKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-7-13(16)14(18)17(3)10(2)11-8-5-6-9-12(11)15/h5-6,8-10,13H,4,7,16H2,1-3H3.
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide?
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide has a molecular weight of 268.79 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide is sourced from PubChem (CID 54870533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).