N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide

C15H22N2O3 — CID 78855760

IUPACN-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCCN(CCO)C(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-17(9-10-18)14(19)11-12(2)16-15(20)13-7-5-4-6-8-13/h4-8,12,18H,3,9-11H2,1-2H3,(H,16,20)
InChIKeyVCKMBECOEWUWHR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.04
Rot. Bonds7

About N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide

N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 78855760) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID78855760
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCCN(CCO)C(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-17(9-10-18)14(19)11-12(2)16-15(20)13-7-5-4-6-8-13/h4-8,12,18H,3,9-11H2,1-2H3,(H,16,20)
InChIKeyVCKMBECOEWUWHR-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
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(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
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N-(4-oxo-4-phenylbutan-2-yl)benzamide
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N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
methyl 3-benzamidobutanoate
CID 10857046
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
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5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
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N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide (CID 78855760) is N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide is CCN(CCO)C(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is VCKMBECOEWUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-17(9-10-18)14(19)11-12(2)16-15(20)13-7-5-4-6-8-13/h4-8,12,18H,3,9-11H2,1-2H3,(H,16,20).
What are the key properties of N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 78855760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).