N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide

C14H18N2O3 — CID 78917550

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(=O)NC2CC2)c(O)c1
InChIInChI=1S/C14H18N2O3/c1-9-2-5-11(12(17)8-9)14(19)15-7-6-13(18)16-10-3-4-10/h2,5,8,10,17H,3-4,6-7H2,1H3,(H,15,19)(H,16,18)
InChIKeyPGEUYNPXFGHITB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.10
Rot. Bonds5

About N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide

N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide (PubChem CID 78917550) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
PubChem CID78917550
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC(=O)NC2CC2)c(O)c1
InChIInChI=1S/C14H18N2O3/c1-9-2-5-11(12(17)8-9)14(19)15-7-6-13(18)16-10-3-4-10/h2,5,8,10,17H,3-4,6-7H2,1H3,(H,15,19)(H,16,18)
InChIKeyPGEUYNPXFGHITB-UHFFFAOYSA-N
XLogP1.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 107729793
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
CID 79401552
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide (CID 78917550) is N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCCC(=O)NC2CC2)c(O)c1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is PGEUYNPXFGHITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-2-5-11(12(17)8-9)14(19)15-7-6-13(18)16-10-3-4-10/h2,5,8,10,17H,3-4,6-7H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 78917550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).