N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide

C15H22N2O2 — CID 34231217

IUPACN-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-16-14(18)10-17-15(19)13-8-11(2)7-12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYLYRDWYBHLYCRA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 34231217) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID34231217
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-16-14(18)10-17-15(19)13-8-11(2)7-12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYLYRDWYBHLYCRA-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
N-butyl-3,5-dimethylbenzamide
CID 17190927
methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate
CID 31840736
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27682949

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide (CID 34231217) is N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide is CCCCNC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is YLYRDWYBHLYCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-5-6-16-14(18)10-17-15(19)13-8-11(2)7-12(3)9-13/h7-9H,4-6,10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 34231217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).