2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide

C13H19ClN2O — CID 61265237

IUPAC2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C(C)(C)N
InChIInChI=1S/C13H19ClN2O/c1-4-16(12(17)13(2,3)15)9-10-7-5-6-8-11(10)14/h5-8H,4,9,15H2,1-3H3
InChIKeyXBNAOYIXDGVNAJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide

2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide (PubChem CID 61265237) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
PubChem CID61265237
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C(C)(C)N
InChIInChI=1S/C13H19ClN2O/c1-4-16(12(17)13(2,3)15)9-10-7-5-6-8-11(10)14/h5-8H,4,9,15H2,1-3H3
InChIKeyXBNAOYIXDGVNAJ-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 52572631
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144
[(2-chlorophenyl)methyl-(2,2-dimethylpropanoyl)amino] carbamate
CID 54413851
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide (CID 61265237) is 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide is CCN(Cc1ccccc1Cl)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The InChIKey is XBNAOYIXDGVNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-16(12(17)13(2,3)15)9-10-7-5-6-8-11(10)14/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide?
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 61265237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).