N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide

C21H35N3O3 — CID 3517609

IUPACN-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)CC1CCCCC1
InChIInChI=1S/C21H35N3O3/c1-2-3-4-5-6-10-13-21(26)24(16-18-11-8-7-9-12-18)17-20(25)22-19-14-15-27-23-19/h14-15,18H,2-13,16-17H2,1H3,(H,22,23,25)
InChIKeyZSDQAZTTWORIKH-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.77
Rot. Bonds12

About N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide

N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide (PubChem CID 3517609) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
PubChem CID3517609
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)CC1CCCCC1
InChIInChI=1S/C21H35N3O3/c1-2-3-4-5-6-10-13-21(26)24(16-18-11-8-7-9-12-18)17-20(25)22-19-14-15-27-23-19/h14-15,18H,2-13,16-17H2,1H3,(H,22,23,25)
InChIKeyZSDQAZTTWORIKH-UHFFFAOYSA-N
XLogP4.77
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]hexanamide
CID 7296221
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
2-[cyclohexylmethyl(ethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5054889
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42771670
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide (CID 3517609) is N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CC(=O)Nc1ccon1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The InChIKey is ZSDQAZTTWORIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-2-3-4-5-6-10-13-21(26)24(16-18-11-8-7-9-12-18)17-20(25)22-19-14-15-27-23-19/h14-15,18H,2-13,16-17H2,1H3,(H,22,23,25).
What are the key properties of N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide has a molecular weight of 377.53 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide is sourced from PubChem (CID 3517609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).