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

C22H40N4O3 — CID 5097311

IUPACN-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CCCN(CC)CC
InChIInChI=1S/C22H40N4O3/c1-6-9-10-11-14-22(28)26(18(4)13-12-15-25(7-2)8-3)17-21(27)23-20-16-19(5)29-24-20/h16,18H,6-15,17H2,1-5H3,(H,23,24,27)
InChIKeyWBCFFJUDWTYOLZ-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.23
Rot. Bonds15

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

N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide (PubChem CID 5097311) has the molecular formula C22H40N4O3 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
PubChem CID5097311
Molecular FormulaC22H40N4O3
Molecular Weight408.59 g/mol
Exact Mass408.31
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)CCCN(CC)CC
InChIInChI=1S/C22H40N4O3/c1-6-9-10-11-14-22(28)26(18(4)13-12-15-25(7-2)8-3)17-21(27)23-20-16-19(5)29-24-20/h16,18H,6-15,17H2,1-5H3,(H,23,24,27)
InChIKeyWBCFFJUDWTYOLZ-UHFFFAOYSA-N
XLogP4.23
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.23
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]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
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-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111120306
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]heptanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide (CID 5097311) is N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide is CCCCCCC(=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]heptanamide?
The InChIKey is WBCFFJUDWTYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O3/c1-6-9-10-11-14-22(28)26(18(4)13-12-15-25(7-2)8-3)17-21(27)23-20-16-19(5)29-24-20/h16,18H,6-15,17H2,1-5H3,(H,23,24,27).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide?
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide has a molecular weight of 408.59 g/mol, XLogP of 4.23, 15 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]heptanamide is sourced from PubChem (CID 5097311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).