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

C13H16N2O3 — CID 43420144

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16N2O3/c1-8-2-5-11(16)10(6-8)13(18)14-7-12(17)15-9-3-4-9/h2,5-6,9,16H,3-4,7H2,1H3,(H,14,18)(H,15,17)
InChIKeyMPEGDMGGUURHEW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.71
Rot. Bonds4

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

N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide (PubChem CID 43420144) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
PubChem CID43420144
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16N2O3/c1-8-2-5-11(16)10(6-8)13(18)14-7-12(17)15-9-3-4-9/h2,5-6,9,16H,3-4,7H2,1H3,(H,14,18)(H,15,17)
InChIKeyMPEGDMGGUURHEW-UHFFFAOYSA-N
XLogP0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
N-[4-(ethylamino)cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 43653300
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 55242936
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 107729793
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide (CID 43420144) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC(=O)NC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is MPEGDMGGUURHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-2-5-11(16)10(6-8)13(18)14-7-12(17)15-9-3-4-9/h2,5-6,9,16H,3-4,7H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 248.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 43420144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).