3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

C18H29N3O3S — CID 42771464

IUPAC3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
SMILESCCOCCCN(CC(=O)Nc1nccs1)C(=O)CCC1CCCC1
InChIInChI=1S/C18H29N3O3S/c1-2-24-12-5-11-21(14-16(22)20-18-19-10-13-25-18)17(23)9-8-15-6-3-4-7-15/h10,13,15H,2-9,11-12,14H2,1H3,(H,19,20,22)
InChIKeyVXNLFZDVRBMLHF-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.31
Rot. Bonds11

About 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide (PubChem CID 42771464) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
PubChem CID42771464
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
SMILESCCOCCCN(CC(=O)Nc1nccs1)C(=O)CCC1CCCC1
InChIInChI=1S/C18H29N3O3S/c1-2-24-12-5-11-21(14-16(22)20-18-19-10-13-25-18)17(23)9-8-15-6-3-4-7-15/h10,13,15H,2-9,11-12,14H2,1H3,(H,19,20,22)
InChIKeyVXNLFZDVRBMLHF-UHFFFAOYSA-N
XLogP3.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.31
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-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
3-cyclopentyl-N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 814287
N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771456
3-cyclopentyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42771431
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
CID 7418057
4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4168579
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 4582238
2-[cyclopropylmethyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 5163798

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide (CID 42771464) is 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide is CCOCCCN(CC(=O)Nc1nccs1)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The InChIKey is VXNLFZDVRBMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-2-24-12-5-11-21(14-16(22)20-18-19-10-13-25-18)17(23)9-8-15-6-3-4-7-15/h10,13,15H,2-9,11-12,14H2,1H3,(H,19,20,22).
What are the key properties of 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide has a molecular weight of 367.52 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 42771464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).