2-(2-methylanilino)-N-pentylpropanamide

C15H24N2O — CID 43113317

IUPAC2-(2-methylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-8-11-16-15(18)13(3)17-14-10-7-6-9-12(14)2/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3,(H,16,18)
InChIKeyVVLBZYAJPJXSDD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.10
Rot. Bonds7

About 2-(2-methylanilino)-N-pentylpropanamide

2-(2-methylanilino)-N-pentylpropanamide (PubChem CID 43113317) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-pentylpropanamide
PubChem CID43113317
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2-methylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-8-11-16-15(18)13(3)17-14-10-7-6-9-12(14)2/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3,(H,16,18)
InChIKeyVVLBZYAJPJXSDD-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.10
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

2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
2-(2-methylanilino)propanehydrazide
CID 23833506
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250
3-(2-methylanilino)butan-2-one
CID 14026537
2-(2-bromo-4-methylanilino)-N-butylpropanamide
CID 43113797
ethyl 2-(2-methylanilino)nonanoate
CID 63523920
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297
2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
CID 102853314
N-hexyl-2-methylbenzamide
CID 3017102
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-pentylpropanamide?
The IUPAC name of 2-(2-methylanilino)-N-pentylpropanamide (CID 43113317) is 2-(2-methylanilino)-N-pentylpropanamide.
What is the SMILES notation for 2-(2-methylanilino)-N-pentylpropanamide?
The canonical SMILES for 2-(2-methylanilino)-N-pentylpropanamide is CCCCCNC(=O)C(C)Nc1ccccc1C.
What is the InChIKey of 2-(2-methylanilino)-N-pentylpropanamide?
The InChIKey is VVLBZYAJPJXSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-8-11-16-15(18)13(3)17-14-10-7-6-9-12(14)2/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-methylanilino)-N-pentylpropanamide?
2-(2-methylanilino)-N-pentylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-pentylpropanamide is sourced from PubChem (CID 43113317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).