2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide

C15H23ClN2O — CID 61251084

IUPAC2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
SMILESCC(C)C(CNC(=O)C(Cl)c1ccccc1)N(C)C
InChIInChI=1S/C15H23ClN2O/c1-11(2)13(18(3)4)10-17-15(19)14(16)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,17,19)
InChIKeyJHEFURYVOMMUQE-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.67
Rot. Bonds6

About 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide

2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide (PubChem CID 61251084) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
PubChem CID61251084
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
SMILESCC(C)C(CNC(=O)C(Cl)c1ccccc1)N(C)C
InChIInChI=1S/C15H23ClN2O/c1-11(2)13(18(3)4)10-17-15(19)14(16)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,17,19)
InChIKeyJHEFURYVOMMUQE-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 39869905
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
CID 106312263
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552
N-[2-(dimethylamino)-3-methylbutyl]-3-methoxynaphthalene-2-carboxamide
CID 24650094
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylpropanamide
CID 62488600
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide (CID 61251084) is 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide is CC(C)C(CNC(=O)C(Cl)c1ccccc1)N(C)C.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide?
The InChIKey is JHEFURYVOMMUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(2)13(18(3)4)10-17-15(19)14(16)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,17,19).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide?
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide has a molecular weight of 282.81 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide is sourced from PubChem (CID 61251084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).