(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide

C15H17NO — CID 75364637

IUPAC(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
SMILESC#CCNC(=O)/C=C(/C)CCc1ccccc1
InChIInChI=1S/C15H17NO/c1-3-11-16-15(17)12-13(2)9-10-14-7-5-4-6-8-14/h1,4-8,12H,9-11H2,2H3,(H,16,17)/b13-12-
InChIKeyOMMNDMQNXNJATJ-SEYXRHQNSA-N
MW227.31 g/mol
LogP2.31
Rot. Bonds5

About (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide

(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide (PubChem CID 75364637) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide.

Molecular Properties

Compound Name(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
PubChem CID75364637
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
SMILESC#CCNC(=O)/C=C(/C)CCc1ccccc1
InChIInChI=1S/C15H17NO/c1-3-11-16-15(17)12-13(2)9-10-14-7-5-4-6-8-14/h1,4-8,12H,9-11H2,2H3,(H,16,17)/b13-12-
InChIKeyOMMNDMQNXNJATJ-SEYXRHQNSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-prop-2-ynylbutanamide
CID 60769101
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
CID 75462488
(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
CID 95289169
(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide
CID 86876341
(E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide
CID 98278692
(E)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-5-phenylpent-2-enamide
CID 95287712
(E)-4-methyl-6-phenylhex-3-enoic acid
CID 129195259
4-phenyl-1-(prop-2-ynylamino)butan-2-one
CID 116589465
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide
CID 110002498
N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
CID 72687029

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide?
The IUPAC name of (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide (CID 75364637) is (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide.
What is the SMILES notation for (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide?
The canonical SMILES for (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide is C#CCNC(=O)/C=C(/C)CCc1ccccc1.
What is the InChIKey of (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide?
The InChIKey is OMMNDMQNXNJATJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-11-16-15(17)12-13(2)9-10-14-7-5-4-6-8-14/h1,4-8,12H,9-11H2,2H3,(H,16,17)/b13-12-.
What are the key properties of (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide?
(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide has a molecular weight of 227.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide is sourced from PubChem (CID 75364637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).