N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide

C12H17ClN2O — CID 28769527

IUPACN-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCN)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-9(2)12(16)15(8-7-14)11-5-3-10(13)4-6-11/h3-6,9H,7-8,14H2,1-2H3
InChIKeyLSMLSPCTXMYUHF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.29
Rot. Bonds4

About N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide

N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide (PubChem CID 28769527) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
PubChem CID28769527
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCN)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-9(2)12(16)15(8-7-14)11-5-3-10(13)4-6-11/h3-6,9H,7-8,14H2,1-2H3
InChIKeyLSMLSPCTXMYUHF-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(4-ethylphenyl)-2-methylpropanamide
CID 28770054
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
CID 28770124
tert-butyl (2R,3R)-4-[4-chloro-N-(2-chloroethyl)anilino]-2,3-dihydroxy-4-oxobutanoate
CID 67223250
N-butyl-N-(3-chlorophenyl)-2-methylpropanamide
CID 18736118
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
4-(4-chloro-N-ethylanilino)-3-methyl-4-oxobutanoic acid
CID 59823925
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
3-[4-ethoxycarbonyl-N-(2-methylpropanoyl)anilino]propanoic acid
CID 95533641
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187
2-methyl-3-[N-(2-methylpropanoyl)-4-propan-2-ylanilino]propanoic acid
CID 82321032

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide (CID 28769527) is N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide is CC(C)C(=O)N(CCN)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide?
The InChIKey is LSMLSPCTXMYUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(2)12(16)15(8-7-14)11-5-3-10(13)4-6-11/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide?
N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 28769527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).