N-butyl-N,2,3-triphenylprop-2-enamide

C25H25NO — CID 3374282

IUPACN-butyl-N,2,3-triphenylprop-2-enamide
SMILESCCCCN(C(=O)C(=Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c1-2-3-19-26(23-17-11-6-12-18-23)25(27)24(22-15-9-5-10-16-22)20-21-13-7-4-8-14-21/h4-18,20H,2-3,19H2,1H3
InChIKeyKYYUIKDZROFTMY-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.06
Rot. Bonds7

About N-butyl-N,2,3-triphenylprop-2-enamide

N-butyl-N,2,3-triphenylprop-2-enamide (PubChem CID 3374282) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is N-butyl-N,2,3-triphenylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N,2,3-triphenylprop-2-enamide
PubChem CID3374282
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC NameN-butyl-N,2,3-triphenylprop-2-enamide
SMILESCCCCN(C(=O)C(=Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c1-2-3-19-26(23-17-11-6-12-18-23)25(27)24(22-15-9-5-10-16-22)20-21-13-7-4-8-14-21/h4-18,20H,2-3,19H2,1H3
InChIKeyKYYUIKDZROFTMY-UHFFFAOYSA-N
XLogP6.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(N-butylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77047527
N-butyl-N-phenylprop-2-enamide
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3-bromo-N-butyl-N-phenylbenzamide
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4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
octyl(phenyl)carbamic acid
CID 54301990
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-hexyl-N-phenylacetamide
CID 13217997

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,3-triphenylprop-2-enamide?
The IUPAC name of N-butyl-N,2,3-triphenylprop-2-enamide (CID 3374282) is N-butyl-N,2,3-triphenylprop-2-enamide.
What is the SMILES notation for N-butyl-N,2,3-triphenylprop-2-enamide?
The canonical SMILES for N-butyl-N,2,3-triphenylprop-2-enamide is CCCCN(C(=O)C(=Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N,2,3-triphenylprop-2-enamide?
The InChIKey is KYYUIKDZROFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-2-3-19-26(23-17-11-6-12-18-23)25(27)24(22-15-9-5-10-16-22)20-21-13-7-4-8-14-21/h4-18,20H,2-3,19H2,1H3.
What are the key properties of N-butyl-N,2,3-triphenylprop-2-enamide?
N-butyl-N,2,3-triphenylprop-2-enamide has a molecular weight of 355.48 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,3-triphenylprop-2-enamide is sourced from PubChem (CID 3374282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).