(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide

C17H29N3O3 — CID 7301914

IUPAC(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)C[C@H](C)CC(C)(C)C
InChIInChI=1S/C17H29N3O3/c1-6-8-20(12-15(21)18-14-7-9-23-19-14)16(22)10-13(2)11-17(3,4)5/h7,9,13H,6,8,10-12H2,1-5H3,(H,18,19,21)/t13-/m0/s1
InChIKeyYQSZZCHHUVDZOQ-ZDUSSCGKSA-N
MW323.44 g/mol
LogP3.31
Rot. Bonds8

About (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide

(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide (PubChem CID 7301914) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide.

Molecular Properties

Compound Name(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide
PubChem CID7301914
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)C[C@H](C)CC(C)(C)C
InChIInChI=1S/C17H29N3O3/c1-6-8-20(12-15(21)18-14-7-9-23-19-14)16(22)10-13(2)11-17(3,4)5/h7,9,13H,6,8,10-12H2,1-5H3,(H,18,19,21)/t13-/m0/s1
InChIKeyYQSZZCHHUVDZOQ-ZDUSSCGKSA-N
XLogP3.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
3-chloro-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
CID 4114305
N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide
CID 4051213
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769288
3-(1,2-oxazol-3-yl)-1,1-dipropylurea
CID 108811952
2-[propyl(3,5,5-trimethylhexanoyl)amino]acetic acid
CID 61012350
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide?
The IUPAC name of (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide (CID 7301914) is (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide.
What is the SMILES notation for (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide?
The canonical SMILES for (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide is CCCN(CC(=O)Nc1ccon1)C(=O)C[C@H](C)CC(C)(C)C.
What is the InChIKey of (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide?
The InChIKey is YQSZZCHHUVDZOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-6-8-20(12-15(21)18-14-7-9-23-19-14)16(22)10-13(2)11-17(3,4)5/h7,9,13H,6,8,10-12H2,1-5H3,(H,18,19,21)/t13-/m0/s1.
What are the key properties of (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide?
(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide has a molecular weight of 323.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide is sourced from PubChem (CID 7301914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).