2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide

C14H17NO2 — CID 102034049

IUPAC2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
SMILESCC(C)(C)C(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-14(2,3)13(17)15-12(16)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17)/b10-9+
InChIKeyBIKVQJUYCWVWLL-MDZDMXLPSA-N
MW231.30 g/mol
LogP2.39
Rot. Bonds2

About 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide

2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide (PubChem CID 102034049) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
PubChem CID102034049
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
SMILESCC(C)(C)C(=O)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H17NO2/c1-14(2,3)13(17)15-12(16)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17)/b10-9+
InChIKeyBIKVQJUYCWVWLL-MDZDMXLPSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
CID 57300906
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
O-methyl N-(3-phenylprop-2-enoyl)carbamothioate
CID 2826352
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2,2-dimethyl-N-[3-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]phenyl]propanamide
CID 55536081
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 110002768
1-tert-butyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 9425446

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide (CID 102034049) is 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide is CC(C)(C)C(=O)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
The InChIKey is BIKVQJUYCWVWLL-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)13(17)15-12(16)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16,17)/b10-9+.
What are the key properties of 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide?
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide has a molecular weight of 231.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide is sourced from PubChem (CID 102034049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).