N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide

C23H42N4O3 — CID 5168715

IUPACN-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CCCN(CC)CC
InChIInChI=1S/C23H42N4O3/c1-6-9-10-11-12-15-23(29)27(19(4)14-13-16-26(7-2)8-3)18-22(28)24-21-17-20(5)30-25-21/h17,19H,6-16,18H2,1-5H3,(H,24,25,28)
InChIKeyPBAQHRGTPJYSTI-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.62
Rot. Bonds16

About N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide

N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide (PubChem CID 5168715) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
PubChem CID5168715
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CCCN(CC)CC
InChIInChI=1S/C23H42N4O3/c1-6-9-10-11-12-15-23(29)27(19(4)14-13-16-26(7-2)8-3)18-22(28)24-21-17-20(5)30-25-21/h17,19H,6-16,18H2,1-5H3,(H,24,25,28)
InChIKeyPBAQHRGTPJYSTI-UHFFFAOYSA-N
XLogP4.62
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
CID 5097311
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
diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium
CID 7331089
2-chloro-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4126434
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
2-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4054313
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111120306
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide (CID 5168715) is N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide is CCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CCCN(CC)CC.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide?
The InChIKey is PBAQHRGTPJYSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-6-9-10-11-12-15-23(29)27(19(4)14-13-16-26(7-2)8-3)18-22(28)24-21-17-20(5)30-25-21/h17,19H,6-16,18H2,1-5H3,(H,24,25,28).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide?
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide has a molecular weight of 422.61 g/mol, XLogP of 4.62, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide is sourced from PubChem (CID 5168715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).