N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide

C18H18N2O3 — CID 131862132

IUPACN-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide
SMILESCCNC(=O)C(NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-19-18(23)15(16(21)13-9-5-3-6-10-13)20-17(22)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,23)(H,20,22)
InChIKeyDLWRMMQMOCBZIY-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.80
Rot. Bonds6

About N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide

N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide (PubChem CID 131862132) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide
PubChem CID131862132
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide
SMILESCCNC(=O)C(NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-19-18(23)15(16(21)13-9-5-3-6-10-13)20-17(22)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,23)(H,20,22)
InChIKeyDLWRMMQMOCBZIY-UHFFFAOYSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
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N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
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(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
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CID 68891597
CID 68891597
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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide (CID 131862132) is N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide is CCNC(=O)C(NC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is DLWRMMQMOCBZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-19-18(23)15(16(21)13-9-5-3-6-10-13)20-17(22)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide?
N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1,3-dioxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 131862132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).