N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide

C13H16N2O4 — CID 54943363

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-4-5-11(16)10(6-9)13(18)14-7-12(17)15-8-2-3-8/h4-6,8,16H,2-3,7H2,1H3,(H,14,18)(H,15,17)
InChIKeyLWOPDUJGWMOEJV-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 54943363) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
PubChem CID54943363
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-4-5-11(16)10(6-9)13(18)14-7-12(17)15-8-2-3-8/h4-6,8,16H,2-3,7H2,1H3,(H,14,18)(H,15,17)
InChIKeyLWOPDUJGWMOEJV-UHFFFAOYSA-N
XLogP0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
2-hydroxy-5-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577294
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 106124081
N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
CID 60975569
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
CID 107172227
N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
CID 63626426
N-(dicyclopropylmethyl)-2-hydroxy-5-methoxybenzamide
CID 54943396
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide (CID 54943363) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC(=O)NC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is LWOPDUJGWMOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-9-4-5-11(16)10(6-9)13(18)14-7-12(17)15-8-2-3-8/h4-6,8,16H,2-3,7H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 264.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 54943363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).