N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide

C22H22N2O2 — CID 170919272

IUPACN-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide
SMILESC#CCNC(=O)C(/C=C(\C)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-4-15-23-21(25)20(16-17(2)18-11-7-5-8-12-18)22(26)24(3)19-13-9-6-10-14-19/h1,5-14,16,20H,15H2,2-3H3,(H,23,25)/b17-16+
InChIKeyFUWPTAIHQWNDPG-WUKNDPDISA-N
MW346.43 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide

N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide (PubChem CID 170919272) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide
PubChem CID170919272
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide
SMILESC#CCNC(=O)C(/C=C(\C)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-4-15-23-21(25)20(16-17(2)18-11-7-5-8-12-18)22(26)24(3)19-13-9-6-10-14-19/h1,5-14,16,20H,15H2,2-3H3,(H,23,25)/b17-16+
InChIKeyFUWPTAIHQWNDPG-WUKNDPDISA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[(Z)-octadec-9-enyl]-N-phenyl-2-[(E)-2-phenylprop-1-enyl]propanediamide
CID 170919280
N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide
CID 170919299
methyl (E)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamoyl]-4-phenylpent-3-enoate
CID 170919326
(E)-N-methyl-N,3-diphenylbut-2-enamide
CID 11032331
methyl (E)-4-phenyl-2-(thiophen-2-ylmethylcarbamoyl)pent-3-enoate
CID 170919340
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
5-phenylhex-4-en-1-yn-3-ol
CID 130127782
N-methyl-N-[(Z)-1-phenylbut-1-enyl]aniline
CID 24975986
2-(N-ethylanilino)-N-prop-2-ynylacetamide
CID 78914189
4-methylhex-2-en-2-ylbenzene
CID 76543432
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide?
The IUPAC name of N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide (CID 170919272) is N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide?
The canonical SMILES for N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide is C#CCNC(=O)C(/C=C(\C)c1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide?
The InChIKey is FUWPTAIHQWNDPG-WUKNDPDISA-N. The full InChI is InChI=1S/C22H22N2O2/c1-4-15-23-21(25)20(16-17(2)18-11-7-5-8-12-18)22(26)24(3)19-13-9-6-10-14-19/h1,5-14,16,20H,15H2,2-3H3,(H,23,25)/b17-16+.
What are the key properties of N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide?
N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide has a molecular weight of 346.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide is sourced from PubChem (CID 170919272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).