N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide

C20H35N3O2S — CID 4188240

IUPACN-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C20H35N3O2S/c1-5-6-7-8-9-10-11-19(25)23(13-12-16(2)3)14-18(24)22-20-21-17(4)15-26-20/h15-16H,5-14H2,1-4H3,(H,21,22,24)
InChIKeyCDRXOUMTNXCZEB-UHFFFAOYSA-N
MW381.59 g/mol
LogP5.02
Rot. Bonds13

About N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide

N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide (PubChem CID 4188240) has the molecular formula C20H35N3O2S and a molecular weight of 381.59 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
PubChem CID4188240
Molecular FormulaC20H35N3O2S
Molecular Weight381.59 g/mol
Exact Mass381.24
IUPAC NameN-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C20H35N3O2S/c1-5-6-7-8-9-10-11-19(25)23(13-12-16(2)3)14-18(24)22-20-21-17(4)15-26-20/h15-16H,5-14H2,1-4H3,(H,21,22,24)
InChIKeyCDRXOUMTNXCZEB-UHFFFAOYSA-N
XLogP5.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.02
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-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
2-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4052949
3,5,5-trimethyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
CID 4069257
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 4063558
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 4164205
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 3460973
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 5009561

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide?
The IUPAC name of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide (CID 4188240) is N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide?
The canonical SMILES for N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1nc(C)cs1.
What is the InChIKey of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide?
The InChIKey is CDRXOUMTNXCZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2S/c1-5-6-7-8-9-10-11-19(25)23(13-12-16(2)3)14-18(24)22-20-21-17(4)15-26-20/h15-16H,5-14H2,1-4H3,(H,21,22,24).
What are the key properties of N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide?
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide has a molecular weight of 381.59 g/mol, XLogP of 5.02, 13 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-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide is sourced from PubChem (CID 4188240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).