N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide

C19H33N3O2S — CID 5146409

IUPACN-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1ncc(C)s1
InChIInChI=1S/C19H33N3O2S/c1-5-6-7-8-9-10-18(24)22(12-11-15(2)3)14-17(23)21-19-20-13-16(4)25-19/h13,15H,5-12,14H2,1-4H3,(H,20,21,23)
InChIKeyRWSZAJJYDQXTEN-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.63
Rot. Bonds12

About N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide

N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide (PubChem CID 5146409) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
PubChem CID5146409
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC NameN-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1ncc(C)s1
InChIInChI=1S/C19H33N3O2S/c1-5-6-7-8-9-10-18(24)22(12-11-15(2)3)14-17(23)21-19-20-13-16(4)25-19/h13,15H,5-12,14H2,1-4H3,(H,20,21,23)
InChIKeyRWSZAJJYDQXTEN-UHFFFAOYSA-N
XLogP4.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.63
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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide
CID 42770820
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
CID 4188240
2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4583830
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3395199
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42770884
N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885
4-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4145952
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylbutanamide
CID 42770867

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide?
The IUPAC name of N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide (CID 5146409) is N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide?
The canonical SMILES for N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide is CCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide?
The InChIKey is RWSZAJJYDQXTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-5-6-7-8-9-10-18(24)22(12-11-15(2)3)14-17(23)21-19-20-13-16(4)25-19/h13,15H,5-12,14H2,1-4H3,(H,20,21,23).
What are the key properties of N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide?
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide has a molecular weight of 367.56 g/mol, XLogP of 4.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide is sourced from PubChem (CID 5146409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).