3-(3,5-dimethylanilino)-N-pentylpropanamide

C16H26N2O — CID 109032129

IUPAC3-(3,5-dimethylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-5-6-8-18-16(19)7-9-17-15-11-13(2)10-14(3)12-15/h10-12,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyUMPPMGRMPQOOJZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.41
Rot. Bonds8

About 3-(3,5-dimethylanilino)-N-pentylpropanamide

3-(3,5-dimethylanilino)-N-pentylpropanamide (PubChem CID 109032129) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-N-pentylpropanamide
PubChem CID109032129
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(3,5-dimethylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1cc(C)cc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-5-6-8-18-16(19)7-9-17-15-11-13(2)10-14(3)12-15/h10-12,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyUMPPMGRMPQOOJZ-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.41
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-(4-methylanilino)-N-pentylpropanamide
CID 109032122
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
3-[4-(dimethylamino)anilino]-N-pentylpropanamide
CID 109032181
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
3-(5-chloro-2-methylanilino)-N-pentylpropanamide
CID 109032149
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
N-butyl-3-(pyridin-4-ylamino)propanamide
CID 129043658
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
CID 101399946
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-[(4-methylphenyl)methylamino]-N-pentylpropanamide
CID 109019959
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-N-pentylpropanamide?
The IUPAC name of 3-(3,5-dimethylanilino)-N-pentylpropanamide (CID 109032129) is 3-(3,5-dimethylanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(3,5-dimethylanilino)-N-pentylpropanamide is CCCCCNC(=O)CCNc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylanilino)-N-pentylpropanamide?
The InChIKey is UMPPMGRMPQOOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-6-8-18-16(19)7-9-17-15-11-13(2)10-14(3)12-15/h10-12,17H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,5-dimethylanilino)-N-pentylpropanamide?
3-(3,5-dimethylanilino)-N-pentylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-N-pentylpropanamide is sourced from PubChem (CID 109032129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).