N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide

C16H21NO2 — CID 135086054

IUPACN-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide
SMILESC=C(C)C(=O)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H21NO2/c1-12(2)14(18)17(15(19)16(3,4)5)11-13-9-7-6-8-10-13/h6-10H,1,11H2,2-5H3
InChIKeyGZXOLJKGWJVGIB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.16
Rot. Bonds3

About N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide

N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide (PubChem CID 135086054) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide
PubChem CID135086054
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide
SMILESC=C(C)C(=O)N(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H21NO2/c1-12(2)14(18)17(15(19)16(3,4)5)11-13-9-7-6-8-10-13/h6-10H,1,11H2,2-5H3
InChIKeyGZXOLJKGWJVGIB-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide
CID 53235919
N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide
CID 89172718
N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide
CID 86218375
N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide
CID 101117712
methyl 2-[acetyl(benzyl)amino]prop-2-enoate
CID 11776154
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
benzyl-[tert-butyl(carboxy)amino]carbamic acid
CID 66680917
N-hydroxy-2,2-dimethyl-N-[(4-phenylphenyl)methyl]propanamide
CID 15670577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide (CID 135086054) is N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide is C=C(C)C(=O)N(Cc1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide?
The InChIKey is GZXOLJKGWJVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)14(18)17(15(19)16(3,4)5)11-13-9-7-6-8-10-13/h6-10H,1,11H2,2-5H3.
What are the key properties of N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide?
N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide is sourced from PubChem (CID 135086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).