N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide

C22H26N2O2 — CID 166422255

IUPACN-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccccc1C(=O)NC(CC)c1cc(C)ccc1C
InChIInChI=1S/C22H26N2O2/c1-5-20(19-13-15(3)11-12-16(19)4)24-22(26)18-10-8-7-9-17(18)14-23-21(25)6-2/h6-13,20H,2,5,14H2,1,3-4H3,(H,23,25)(H,24,26)
InChIKeyACXLQPPYJGEAJI-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.99
Rot. Bonds7

About N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide

N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide (PubChem CID 166422255) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide
PubChem CID166422255
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccccc1C(=O)NC(CC)c1cc(C)ccc1C
InChIInChI=1S/C22H26N2O2/c1-5-20(19-13-15(3)11-12-16(19)4)24-22(26)18-10-8-7-9-17(18)14-23-21(25)6-2/h6-13,20H,2,5,14H2,1,3-4H3,(H,23,25)(H,24,26)
InChIKeyACXLQPPYJGEAJI-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
ethyl (2S)-3,3-dimethyl-2-[[2-[(prop-2-enoylamino)methyl]benzoyl]amino]butanoate
CID 166422137
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
CID 167955086
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724
N-[1-(2,4-dimethylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 132652311
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2-methylphenyl)propyl]acetamide
CID 100759976
N-[3-(4-chlorophenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422248
2-[(prop-2-enoylamino)methyl]-N-thiophen-3-ylbenzamide
CID 166422175
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
4-methyl-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid
CID 141126417
N-(3-bromo-4-methoxyphenyl)-2-[(prop-2-enoylamino)methyl]benzamide
CID 167913002
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 99932630

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide (CID 166422255) is N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide is C=CC(=O)NCc1ccccc1C(=O)NC(CC)c1cc(C)ccc1C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide?
The InChIKey is ACXLQPPYJGEAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-20(19-13-15(3)11-12-16(19)4)24-22(26)18-10-8-7-9-17(18)14-23-21(25)6-2/h6-13,20H,2,5,14H2,1,3-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide?
N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 166422255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).