N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide

C15H20N2O2 — CID 115628431

IUPACN-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide
SMILESC/C=C/CCNC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-4-8-11-16-14(18)12(2)17-15(19)13-9-6-5-7-10-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,16,18)(H,17,19)/b4-3+
InChIKeyXIOPYBFMLZJIHF-ONEGZZNKSA-N
MW260.34 g/mol
LogP1.89
Rot. Bonds6

About N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide

N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide (PubChem CID 115628431) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide
PubChem CID115628431
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide
SMILESC/C=C/CCNC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-3-4-8-11-16-14(18)12(2)17-15(19)13-9-6-5-7-10-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,16,18)(H,17,19)/b4-3+
InChIKeyXIOPYBFMLZJIHF-ONEGZZNKSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 71491153
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CID 71491217
(2S)-3-(2-benzamidopropanoylamino)-2-hydroxypropanoic acid
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N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
3-diphenylphosphanyl-N-[(2S)-1-[2-[[(2S)-2-[(3-diphenylphosphanylbenzoyl)amino]propanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 122367982

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide (CID 115628431) is N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide is C/C=C/CCNC(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide?
The InChIKey is XIOPYBFMLZJIHF-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-8-11-16-14(18)12(2)17-15(19)13-9-6-5-7-10-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,16,18)(H,17,19)/b4-3+.
What are the key properties of N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide?
N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[(E)-pent-3-enyl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 115628431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).