N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide

C19H20N2O2 — CID 110615658

IUPACN-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide
SMILESCC/C(=C\C(=O)Nc1ccccc1C(=O)NC)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-3-14(15-9-5-4-6-10-15)13-18(22)21-17-12-8-7-11-16(17)19(23)20-2/h4-13H,3H2,1-2H3,(H,20,23)(H,21,22)/b14-13+
InChIKeyCCEZPIZVVMQPRT-BUHFOSPRSA-N
MW308.38 g/mol
LogP3.48
Rot. Bonds5

About N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide

N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide (PubChem CID 110615658) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide
PubChem CID110615658
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide
SMILESCC/C(=C\C(=O)Nc1ccccc1C(=O)NC)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-3-14(15-9-5-4-6-10-15)13-18(22)21-17-12-8-7-11-16(17)19(23)20-2/h4-13H,3H2,1-2H3,(H,20,23)(H,21,22)/b14-13+
InChIKeyCCEZPIZVVMQPRT-BUHFOSPRSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.48
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

2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide
CID 110615682
(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
CID 110415840
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
(E)-N-(2-benzoylphenyl)but-2-enamide
CID 20555207
2-(1-anilinoethenylamino)-N-methylbenzamide
CID 59846622
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-N-methylbenzamide
CID 34755012
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
CID 110306939
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide (CID 110615658) is N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide is CC/C(=C\C(=O)Nc1ccccc1C(=O)NC)c1ccccc1.
What is the InChIKey of N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide?
The InChIKey is CCEZPIZVVMQPRT-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-14(15-9-5-4-6-10-15)13-18(22)21-17-12-8-7-11-16(17)19(23)20-2/h4-13H,3H2,1-2H3,(H,20,23)(H,21,22)/b14-13+.
What are the key properties of N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide?
N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide has a molecular weight of 308.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide is sourced from PubChem (CID 110615658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).