N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide

C23H34N2O5 — CID 10273523

IUPACN-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide
SMILESCCCC1COCC(=O)C1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C23H34N2O5/c1-6-7-16-12-30-13-19(27)20(16)25-22(29)17(11-23(3,4)5)24-21(28)15-8-9-18(26)14(2)10-15/h8-10,16-17,20,26H,6-7,11-13H2,1-5H3,(H,24,28)(H,25,29)/t16?,17-,20?/m0/s1
InChIKeyQBHWJNPJVOWMAK-GNZRSQJKSA-N
MW418.53 g/mol
LogP2.74
Rot. Bonds7

About N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide

N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide (PubChem CID 10273523) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide
PubChem CID10273523
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC NameN-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide
SMILESCCCC1COCC(=O)C1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C23H34N2O5/c1-6-7-16-12-30-13-19(27)20(16)25-22(29)17(11-23(3,4)5)24-21(28)15-8-9-18(26)14(2)10-15/h8-10,16-17,20,26H,6-7,11-13H2,1-5H3,(H,24,28)(H,25,29)/t16?,17-,20?/m0/s1
InChIKeyQBHWJNPJVOWMAK-GNZRSQJKSA-N
XLogP2.74
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide
CID 10157216
N-[4-methyl-1-oxo-1-[[(4S)-3-oxo-5-propyloxan-4-yl]amino]pentan-2-yl]-3-piperidin-1-ylbenzamide
CID 90702063
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide
CID 91117543
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
N-[4-methyl-1-[[(3S,4S)-3-methyl-5-oxooxan-4-yl]amino]-1-oxopentan-2-yl]-3-piperazin-1-ylbenzamide
CID 90867349
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
3-(dimethylamino)-4-hydroxy-N-[(2S)-3-(1-methylcyclopentyl)-1-oxo-1-[(4-oxooxolan-3-yl)methylamino]propan-2-yl]benzamide
CID 143243417
4-tert-butyl-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopent-4-en-2-yl]benzamide
CID 91112482
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide (CID 10273523) is N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide is CCCC1COCC(=O)C1NC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide?
The InChIKey is QBHWJNPJVOWMAK-GNZRSQJKSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-6-7-16-12-30-13-19(27)20(16)25-22(29)17(11-23(3,4)5)24-21(28)15-8-9-18(26)14(2)10-15/h8-10,16-17,20,26H,6-7,11-13H2,1-5H3,(H,24,28)(H,25,29)/t16?,17-,20?/m0/s1.
What are the key properties of N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide?
N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide has a molecular weight of 418.53 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 10273523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).