N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide

C17H29N3O — CID 16779092

IUPACN-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
SMILESCCCN(CCC)CCCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C17H29N3O/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-9-8-15(18)13-14(16)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyHYYYJENPIZNBEI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds9

About N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide

N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide (PubChem CID 16779092) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
PubChem CID16779092
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
SMILESCCCN(CCC)CCCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C17H29N3O/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-9-8-15(18)13-14(16)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21)
InChIKeyHYYYJENPIZNBEI-UHFFFAOYSA-N
XLogP3.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
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-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide
CID 61444232
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995316

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide (CID 16779092) is N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide is CCCN(CCC)CCCC(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
The InChIKey is HYYYJENPIZNBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-20(11-5-2)12-6-7-17(21)19-16-9-8-15(18)13-14(16)3/h8-9,13H,4-7,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide?
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide has a molecular weight of 291.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide is sourced from PubChem (CID 16779092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).