N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide

C21H30N2O5 — CID 10157216

IUPACN-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)NC2C(=O)COCC2C)ccc1O
InChIInChI=1S/C21H30N2O5/c1-12-8-14(6-7-16(12)24)19(26)22-15(9-21(3,4)5)20(27)23-18-13(2)10-28-11-17(18)25/h6-8,13,15,18,24H,9-11H2,1-5H3,(H,22,26)(H,23,27)/t13?,15-,18?/m0/s1
InChIKeyWAYCHRCAOJUQHC-DBQDNQAGSA-N
MW390.48 g/mol
LogP1.96
Rot. Bonds5

About N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide

N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide (PubChem CID 10157216) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide
PubChem CID10157216
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC NameN-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)NC2C(=O)COCC2C)ccc1O
InChIInChI=1S/C21H30N2O5/c1-12-8-14(6-7-16(12)24)19(26)22-15(9-21(3,4)5)20(27)23-18-13(2)10-28-11-17(18)25/h6-8,13,15,18,24H,9-11H2,1-5H3,(H,22,26)(H,23,27)/t13?,15-,18?/m0/s1
InChIKeyWAYCHRCAOJUQHC-DBQDNQAGSA-N
XLogP1.96
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-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-[(2S)-4,4-dimethyl-1-oxo-1-[(3-oxo-5-propyloxan-4-yl)amino]pentan-2-yl]-4-hydroxy-3-methylbenzamide
CID 10273523
N-[4-methyl-1-[[(3S,4S)-3-methyl-5-oxooxan-4-yl]amino]-1-oxopentan-2-yl]-3-piperazin-1-ylbenzamide
CID 90867349
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-[4-methyl-1-oxo-1-[[(4S)-3-oxo-5-propyloxan-4-yl]amino]pentan-2-yl]-3-piperidin-1-ylbenzamide
CID 90702063
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
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 91442080
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 91114761
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
benzyl N-[(4S,5R)-3,3-dimethoxy-5-methyloxan-4-yl]carbamate;benzyl N-[(4S,5R)-5-hydroxy-3,3-dimethoxyoxan-4-yl]carbamate;benzyl N-[(3R,4S)-3-hydroxy-5-oxooxan-4-yl]carbamate;tert-butyl N-[(2S)-1-[[(4S,5R)-3,3-dimethoxy-5-methyloxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate;(4S,5R)-3,3-dimethoxy-5-methyloxan-4-amine;N-[(2S)-1-[[(4S,5R)-3,3-dimethoxy-5-methyloxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide;N-[(2S)-4-methyl-1-[[(3R,4S)-3-methyl-5-oxooxan-4-yl]amino]-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 161174245
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide (CID 10157216) is N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)NC2C(=O)COCC2C)ccc1O.
What is the InChIKey of N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide?
The InChIKey is WAYCHRCAOJUQHC-DBQDNQAGSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-12-8-14(6-7-16(12)24)19(26)22-15(9-21(3,4)5)20(27)23-18-13(2)10-28-11-17(18)25/h6-8,13,15,18,24H,9-11H2,1-5H3,(H,22,26)(H,23,27)/t13?,15-,18?/m0/s1.
What are the key properties of N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide?
N-[(2S)-4,4-dimethyl-1-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide has a molecular weight of 390.48 g/mol, XLogP of 1.96, 5 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-[(3-methyl-5-oxooxan-4-yl)amino]-1-oxopentan-2-yl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 10157216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).