N-[3-(N-methylanilino)propyl]pentanamide

C15H24N2O — CID 78799629

IUPACN-[3-(N-methylanilino)propyl]pentanamide
SMILESCCCCC(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-11-15(18)16-12-8-13-17(2)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18)
InChIKeyXTGSSXGRYJPMFD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.82
Rot. Bonds8

About N-[3-(N-methylanilino)propyl]pentanamide

N-[3-(N-methylanilino)propyl]pentanamide (PubChem CID 78799629) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]pentanamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]pentanamide
PubChem CID78799629
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(N-methylanilino)propyl]pentanamide
SMILESCCCCC(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-11-15(18)16-12-8-13-17(2)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18)
InChIKeyXTGSSXGRYJPMFD-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-[3-(pentanoylamino)propyl]-N-phenylbenzamide
CID 42705905
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]pentanamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]pentanamide (CID 78799629) is N-[3-(N-methylanilino)propyl]pentanamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]pentanamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]pentanamide is CCCCC(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]pentanamide?
The InChIKey is XTGSSXGRYJPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-11-15(18)16-12-8-13-17(2)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(N-methylanilino)propyl]pentanamide?
N-[3-(N-methylanilino)propyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]pentanamide is sourced from PubChem (CID 78799629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).