N'-(5-amino-2-methylphenyl)-N-propylpentanediamide

C15H23N3O2 — CID 120568724

IUPACN'-(5-amino-2-methylphenyl)-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H23N3O2/c1-3-9-17-14(19)5-4-6-15(20)18-13-10-12(16)8-7-11(13)2/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXIKFARACCCNBTO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.21
Rot. Bonds7

About N'-(5-amino-2-methylphenyl)-N-propylpentanediamide

N'-(5-amino-2-methylphenyl)-N-propylpentanediamide (PubChem CID 120568724) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-(5-amino-2-methylphenyl)-N-propylpentanediamide.

Molecular Properties

Compound NameN'-(5-amino-2-methylphenyl)-N-propylpentanediamide
PubChem CID120568724
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-(5-amino-2-methylphenyl)-N-propylpentanediamide
SMILESCCCNC(=O)CCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H23N3O2/c1-3-9-17-14(19)5-4-6-15(20)18-13-10-12(16)8-7-11(13)2/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXIKFARACCCNBTO-UHFFFAOYSA-N
XLogP2.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-2-methylphenyl)-N-propylpentanediamide?
The IUPAC name of N'-(5-amino-2-methylphenyl)-N-propylpentanediamide (CID 120568724) is N'-(5-amino-2-methylphenyl)-N-propylpentanediamide.
What is the SMILES notation for N'-(5-amino-2-methylphenyl)-N-propylpentanediamide?
The canonical SMILES for N'-(5-amino-2-methylphenyl)-N-propylpentanediamide is CCCNC(=O)CCCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N'-(5-amino-2-methylphenyl)-N-propylpentanediamide?
The InChIKey is XIKFARACCCNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-9-17-14(19)5-4-6-15(20)18-13-10-12(16)8-7-11(13)2/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(5-amino-2-methylphenyl)-N-propylpentanediamide?
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide has a molecular weight of 277.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-2-methylphenyl)-N-propylpentanediamide is sourced from PubChem (CID 120568724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).