3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane

C24H37N3O3 — CID 144734963

IUPAC3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane
SMILESCCC.CCN(c1cc(O)cc(C(=O)NCc2cccn2C)c1C)C1CCOCC1
InChIInChI=1S/C21H29N3O3.C3H8/c1-4-24(16-7-10-27-11-8-16)20-13-18(25)12-19(15(20)2)21(26)22-14-17-6-5-9-23(17)3;1-3-2/h5-6,9,12-13,16,25H,4,7-8,10-11,14H2,1-3H3,(H,22,26);3H2,1-2H3
InChIKeyIXENYTIKEMPABB-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.39
Rot. Bonds6

About 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane

3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane (PubChem CID 144734963) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane.

Molecular Properties

Compound Name3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane
PubChem CID144734963
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane
SMILESCCC.CCN(c1cc(O)cc(C(=O)NCc2cccn2C)c1C)C1CCOCC1
InChIInChI=1S/C21H29N3O3.C3H8/c1-4-24(16-7-10-27-11-8-16)20-13-18(25)12-19(15(20)2)21(26)22-14-17-6-5-9-23(17)3;1-3-2/h5-6,9,12-13,16,25H,4,7-8,10-11,14H2,1-3H3,(H,22,26);3H2,1-2H3
InChIKeyIXENYTIKEMPABB-UHFFFAOYSA-N
XLogP4.39
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane 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

5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methylimidazol-4-yl)methyl]benzamide
CID 86288041
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
CID 70872858
5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
CID 86275883
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(4-ethylphenyl)-2-methylbenzamide
CID 70904687
N-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethynyl]benzamide
CID 163843077
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-propan-2-ylbenzamide
CID 90151374
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 76902142
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 135179319
N-[(E)-2-carbamoyl-3-(methylamino)-3-pyrrolidin-1-ylprop-2-enyl]-3-[cyclohexyl(ethyl)amino]-5-hydroxy-2-methylbenzamide
CID 130459818
4-[4-[3-[ethyl(oxan-4-yl)amino]-4-methyl-5-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methylcarbamoyl]phenyl]phenyl]oxane-4-carboxylic acid
CID 155146808
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-2-methylbenzamide
CID 70874928

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane?
The IUPAC name of 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane (CID 144734963) is 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane.
What is the SMILES notation for 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane?
The canonical SMILES for 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane is CCC.CCN(c1cc(O)cc(C(=O)NCc2cccn2C)c1C)C1CCOCC1.
What is the InChIKey of 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane?
The InChIKey is IXENYTIKEMPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3.C3H8/c1-4-24(16-7-10-27-11-8-16)20-13-18(25)12-19(15(20)2)21(26)22-14-17-6-5-9-23(17)3;1-3-2/h5-6,9,12-13,16,25H,4,7-8,10-11,14H2,1-3H3,(H,22,26);3H2,1-2H3.
What are the key properties of 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane?
3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane has a molecular weight of 415.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxan-4-yl)amino]-5-hydroxy-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide;propane is sourced from PubChem (CID 144734963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).