N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide

C26H24N2O2 — CID 66573946

IUPACN-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide
SMILESC#CCN(CC=C)C(=O)c1ccc(-c2ccc(C(=O)N(CC#C)CC=C)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-5-17-27(18-6-2)25(29)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26(30)28(19-7-3)20-8-4/h1,3,6,8-16H,2,4,17-20H2
InChIKeyLLCFATVGAXFKPX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.88
Rot. Bonds9

About N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide

N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide (PubChem CID 66573946) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide
PubChem CID66573946
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide
SMILESC#CCN(CC=C)C(=O)c1ccc(-c2ccc(C(=O)N(CC#C)CC=C)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-5-17-27(18-6-2)25(29)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26(30)28(19-7-3)20-8-4/h1,3,6,8-16H,2,4,17-20H2
InChIKeyLLCFATVGAXFKPX-UHFFFAOYSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464293
N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide
CID 102438854
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
N,N-bis(prop-2-ynyl)benzamide
CID 11790147
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enyl-N-prop-2-ynylbenzamide
CID 28739164
4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide
CID 42189621
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
4-methoxy-N,N-bis(prop-2-ynyl)benzamide
CID 117063834
3-methyl-1-prop-2-enyl-1-prop-2-ynylurea
CID 130581248
N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42522175
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide?
The IUPAC name of N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide (CID 66573946) is N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide?
The canonical SMILES for N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide is C#CCN(CC=C)C(=O)c1ccc(-c2ccc(C(=O)N(CC#C)CC=C)cc2)cc1.
What is the InChIKey of N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide?
The InChIKey is LLCFATVGAXFKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-5-17-27(18-6-2)25(29)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26(30)28(19-7-3)20-8-4/h1,3,6,8-16H,2,4,17-20H2.
What are the key properties of N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide?
N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide is sourced from PubChem (CID 66573946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).