(E)-N,N,2-trimethyl-3-phenylprop-2-enamide

C12H15NO — CID 6372631

IUPAC(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3/b10-9+
InChIKeyDBPUUFLWAAYBLB-MDZDMXLPSA-N
MW189.26 g/mol
LogP2.18
Rot. Bonds2

About (E)-N,N,2-trimethyl-3-phenylprop-2-enamide

(E)-N,N,2-trimethyl-3-phenylprop-2-enamide (PubChem CID 6372631) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-N,N,2-trimethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
PubChem CID6372631
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3/b10-9+
InChIKeyDBPUUFLWAAYBLB-MDZDMXLPSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.18
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

(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
CID 29278022
[(E)-1-(dimethylamino)-2-methyl-3-phenylprop-2-enylidene]chromium
CID 135076058
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
zinc bis((E)-2-methyl-3-phenylprop-2-enoate)
CID 19869367
(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
CID 6394466
(Z)-2-methyl-N-oxo-3-phenylprop-2-enamide
CID 134576531
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
methyl N-[(E)-3-(dimethylamino)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
CID 167060738
(1E,4E)-2-methyl-1-phenylhexa-1,4-dien-3-one
CID 11355910

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,2-trimethyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N,N,2-trimethyl-3-phenylprop-2-enamide (CID 6372631) is (E)-N,N,2-trimethyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N,N,2-trimethyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N,N,2-trimethyl-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)N(C)C.
What is the InChIKey of (E)-N,N,2-trimethyl-3-phenylprop-2-enamide?
The InChIKey is DBPUUFLWAAYBLB-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3/b10-9+.
What are the key properties of (E)-N,N,2-trimethyl-3-phenylprop-2-enamide?
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-trimethyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6372631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).