N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

C15H22N2O4 — CID 78799665

IUPACN-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCO)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)13(15(20)16-8-9-18)17-14(19)11-6-4-5-7-12(11)21-3/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyRSKXTGCHANORNF-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.56
Rot. Bonds7

About N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (PubChem CID 78799665) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
PubChem CID78799665
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCO)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)13(15(20)16-8-9-18)17-14(19)11-6-4-5-7-12(11)21-3/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyRSKXTGCHANORNF-UHFFFAOYSA-N
XLogP0.56
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 33249575
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
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N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55343742
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CID 9208969
N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55634046
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
2-bromo-N-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 26007101
2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide (CID 78799665) is N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C(=O)NCCO)C(C)C.
What is the InChIKey of N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
The InChIKey is RSKXTGCHANORNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)13(15(20)16-8-9-18)17-14(19)11-6-4-5-7-12(11)21-3/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide?
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 78799665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).