N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide

C14H17NO — CID 53235919

IUPACN-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide
SMILESC=C(C)C(=O)N(Cc1ccccc1)C(=C)C
InChIInChI=1S/C14H17NO/c1-11(2)14(16)15(12(3)4)10-13-8-6-5-7-9-13/h5-9H,1,3,10H2,2,4H3
InChIKeyGNTSHDHBPMFAGJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.12
Rot. Bonds4

About N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide

N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide (PubChem CID 53235919) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide
PubChem CID53235919
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide
SMILESC=C(C)C(=O)N(Cc1ccccc1)C(=C)C
InChIInChI=1S/C14H17NO/c1-11(2)14(16)15(12(3)4)10-13-8-6-5-7-9-13/h5-9H,1,3,10H2,2,4H3
InChIKeyGNTSHDHBPMFAGJ-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide
CID 135086054
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide
CID 89172718
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
methyl 2-[acetyl(benzyl)amino]prop-2-enoate
CID 11776154
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide
CID 10338545
N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
CID 173067916
N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
CID 101027288

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide?
The IUPAC name of N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide (CID 53235919) is N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide.
What is the SMILES notation for N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide?
The canonical SMILES for N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide is C=C(C)C(=O)N(Cc1ccccc1)C(=C)C.
What is the InChIKey of N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide?
The InChIKey is GNTSHDHBPMFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)14(16)15(12(3)4)10-13-8-6-5-7-9-13/h5-9H,1,3,10H2,2,4H3.
What are the key properties of N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide?
N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide has a molecular weight of 215.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide is sourced from PubChem (CID 53235919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).