N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide

C13H16N2O4 — CID 79601075

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2CC2)cc1O
InChIInChI=1S/C13H16N2O4/c1-19-11-5-2-8(6-10(11)16)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)
InChIKeyWNOWNHAWDNAJDF-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 79601075) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
PubChem CID79601075
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2CC2)cc1O
InChIInChI=1S/C13H16N2O4/c1-19-11-5-2-8(6-10(11)16)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)
InChIKeyWNOWNHAWDNAJDF-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

cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115674974
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110625200
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide (CID 79601075) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)NC2CC2)cc1O.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is WNOWNHAWDNAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-11-5-2-8(6-10(11)16)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]-3-hydroxy-4-methoxybenzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-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]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79601075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).