N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide

C20H23N3O2 — CID 54820620

IUPACN-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-3-13-21-14-19(24)23-18-11-9-17(10-12-18)20(25)22-15(2)16-7-5-4-6-8-16/h3-12,15,21H,1,13-14H2,2H3,(H,22,25)(H,23,24)
InChIKeyJDLJBNNYQPXNEX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.89
Rot. Bonds8

About N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide

N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide (PubChem CID 54820620) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide
PubChem CID54820620
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-3-13-21-14-19(24)23-18-11-9-17(10-12-18)20(25)22-15(2)16-7-5-4-6-8-16/h3-12,15,21H,1,13-14H2,2H3,(H,22,25)(H,23,24)
InChIKeyJDLJBNNYQPXNEX-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
4-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887548
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide (CID 54820620) is N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide is C=CCNCC(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The InChIKey is JDLJBNNYQPXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-13-21-14-19(24)23-18-11-9-17(10-12-18)20(25)22-15(2)16-7-5-4-6-8-16/h3-12,15,21H,1,13-14H2,2H3,(H,22,25)(H,23,24).
What are the key properties of N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54820620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).