N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide

C14H19NO — CID 139520013

IUPACN-(2-methylbutan-2-yl)-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)C(C)(C)CC
InChIInChI=1S/C14H19NO/c1-5-13(16)15(14(3,4)6-2)12-10-8-7-9-11-12/h5,7-11H,1,6H2,2-4H3
InChIKeyPXSQPQHXASKHFO-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.39
Rot. Bonds4

About N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide

N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide (PubChem CID 139520013) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-N-phenylprop-2-enamide
PubChem CID139520013
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2-methylbutan-2-yl)-N-phenylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)C(C)(C)CC
InChIInChI=1S/C14H19NO/c1-5-13(16)15(14(3,4)6-2)12-10-8-7-9-11-12/h5,7-11H,1,6H2,2-4H3
InChIKeyPXSQPQHXASKHFO-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.39
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-butyl-N-phenylprop-2-enamide
CID 43619884
N-hydroxy-N-phenylprop-2-enamide
CID 11367183
N-methoxy-N-phenylprop-2-enamide
CID 11816178
N-phenyl-N-prop-1-enylprop-2-enamide
CID 175394581
N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
1-tert-butyl-1-phenylurea
CID 19102233
N-benzyl-N-pentylprop-2-enamide
CID 176825792
2-methyl-2-(N-pyridin-3-ylanilino)butanoic acid
CID 68858029
3-[2-[methyl(2-methylbutan-2-yl)amino]phenyl]prop-2-enoic acid
CID 76996747
methyl 2-[(N-prop-2-enoylanilino)methyl]prop-2-enoate
CID 101024124
(E)-but-2-enedioic acid;N,N-diphenylaniline
CID 139301590
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
CID 86015033

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide (CID 139520013) is N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide is C=CC(=O)N(c1ccccc1)C(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide?
The InChIKey is PXSQPQHXASKHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-13(16)15(14(3,4)6-2)12-10-8-7-9-11-12/h5,7-11H,1,6H2,2-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide?
N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 139520013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).