2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide

C23H30BrN3O3 — CID 66811490

IUPAC2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide
SMILESCCC(Br)(CC)C(=O)NC(N)=O.CN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO.C7H13BrN2O2/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7(8,4-2)5(11)10-6(9)12/h3-12,15H,1-2H3;3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyJQNMUBPEORTIPV-UHFFFAOYSA-N
MW476.42 g/mol
LogP4.04
Rot. Bonds6

About 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide

2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide (PubChem CID 66811490) has the molecular formula C23H30BrN3O3 and a molecular weight of 476.42 g/mol. Its IUPAC name is 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide
PubChem CID66811490
Molecular FormulaC23H30BrN3O3
Molecular Weight476.42 g/mol
Exact Mass475.15
IUPAC Name2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide
SMILESCCC(Br)(CC)C(=O)NC(N)=O.CN(C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO.C7H13BrN2O2/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7(8,4-2)5(11)10-6(9)12/h3-12,15H,1-2H3;3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyJQNMUBPEORTIPV-UHFFFAOYSA-N
XLogP4.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
2-bromo-N-carbamoyl-2-ethylbutanamide;butane;3-(2,3-dicarboxyphenyl)phthalic acid;hydrochloride
CID 67783069
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
benzyl 2-(carbamoylcarbamoyl)-2-ethylbutanoate
CID 23275711
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
2,2-diphenyl-N-propylacetohydrazide;hydrochloride
CID 139747660
N,N-dimethyl-2-phenyl-2-(propylamino)acetamide
CID 142268246
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
2-phenylbutylurea
CID 137320233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide?
The IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide (CID 66811490) is 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide.
What is the SMILES notation for 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide?
The canonical SMILES for 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide is CCC(Br)(CC)C(=O)NC(N)=O.CN(C)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide?
The InChIKey is JQNMUBPEORTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C7H13BrN2O2/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7(8,4-2)5(11)10-6(9)12/h3-12,15H,1-2H3;3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide?
2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide has a molecular weight of 476.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide is sourced from PubChem (CID 66811490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).