N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide

C22H34N2O4 — CID 67703459

IUPACN-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide
SMILESCC(=O)[C@H](CC(C)C)OCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C22H34N2O4/c1-15(2)13-19(24-21(26)18-9-7-6-8-10-18)22(27)23-11-12-28-20(17(5)25)14-16(3)4/h6-10,15-16,19-20H,11-14H2,1-5H3,(H,23,27)(H,24,26)/t19-,20-/m0/s1
InChIKeyTYFPGCUIGUYUJX-PMACEKPBSA-N
MW390.52 g/mol
LogP2.97
Rot. Bonds12

About N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide

N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide (PubChem CID 67703459) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide
PubChem CID67703459
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC NameN-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide
SMILESCC(=O)[C@H](CC(C)C)OCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C22H34N2O4/c1-15(2)13-19(24-21(26)18-9-7-6-8-10-18)22(27)23-11-12-28-20(17(5)25)14-16(3)4/h6-10,15-16,19-20H,11-14H2,1-5H3,(H,23,27)(H,24,26)/t19-,20-/m0/s1
InChIKeyTYFPGCUIGUYUJX-PMACEKPBSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide 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

ethyl 2-benzamido-4-methylpentanoate
CID 12773376
1-N,4-N-bis[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]benzene-1,4-dicarboxamide
CID 132534144
N-[(2S)-1-[2-[[(2S)-4-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]pentanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-prop-1-en-2-ylbenzamide
CID 59991160
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide (CID 67703459) is N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide is CC(=O)[C@H](CC(C)C)OCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide?
The InChIKey is TYFPGCUIGUYUJX-PMACEKPBSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-15(2)13-19(24-21(26)18-9-7-6-8-10-18)22(27)23-11-12-28-20(17(5)25)14-16(3)4/h6-10,15-16,19-20H,11-14H2,1-5H3,(H,23,27)(H,24,26)/t19-,20-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide?
N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide has a molecular weight of 390.52 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 67703459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).