[(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium

C23H41N4O3+ — CID 7495346

IUPAC[(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@@H](C)N(CC(=O)Nc1cc(C)on1)C(=O)CCC1CCCC1
InChIInChI=1S/C23H40N4O3/c1-5-26(6-2)15-9-10-18(3)27(23(29)14-13-20-11-7-8-12-20)17-22(28)24-21-16-19(4)30-25-21/h16,18,20H,5-15,17H2,1-4H3,(H,24,25,28)/p+1/t18-/m1/s1
InChIKeyQZZNGQCLSJDPBP-GOSISDBHSA-O
MW421.61 g/mol
LogP2.81
Rot. Bonds13

About [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium

[(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium (PubChem CID 7495346) has the molecular formula C23H41N4O3+ and a molecular weight of 421.61 g/mol. Its IUPAC name is [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium
PubChem CID7495346
Molecular FormulaC23H41N4O3+
Molecular Weight421.61 g/mol
Exact Mass421.32
IUPAC Name[(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@@H](C)N(CC(=O)Nc1cc(C)on1)C(=O)CCC1CCCC1
InChIInChI=1S/C23H40N4O3/c1-5-26(6-2)15-9-10-18(3)27(23(29)14-13-20-11-7-8-12-20)17-22(28)24-21-16-19(4)30-25-21/h16,18,20H,5-15,17H2,1-4H3,(H,24,25,28)/p+1/t18-/m1/s1
InChIKeyQZZNGQCLSJDPBP-GOSISDBHSA-O
XLogP2.81
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium with MolForge

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Launch Full Analysis

Related Compounds

diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium
CID 7331089
diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium
CID 7396526
2-[cyclohexanecarbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]ethyl-diethylazanium
CID 7263209
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
CID 5097311
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
CID 5168715
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide
CID 5168710
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4997300
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42769112
ethyl 4-[cyclohexylmethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42770380
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
2-[(2-chloroacetyl)-(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770361
2-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4054313

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium?
The IUPAC name of [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium (CID 7495346) is [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium.
What is the SMILES notation for [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium?
The canonical SMILES for [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium is CC[NH+](CC)CCC[C@@H](C)N(CC(=O)Nc1cc(C)on1)C(=O)CCC1CCCC1.
What is the InChIKey of [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium?
The InChIKey is QZZNGQCLSJDPBP-GOSISDBHSA-O. The full InChI is InChI=1S/C23H40N4O3/c1-5-26(6-2)15-9-10-18(3)27(23(29)14-13-20-11-7-8-12-20)17-22(28)24-21-16-19(4)30-25-21/h16,18,20H,5-15,17H2,1-4H3,(H,24,25,28)/p+1/t18-/m1/s1.
What are the key properties of [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium?
[(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium has a molecular weight of 421.61 g/mol, XLogP of 2.81, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium is sourced from PubChem (CID 7495346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).