N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide

C16H27N3O — CID 43272550

IUPACN-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)CCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C16H27N3O/c1-5-13(3)19(4)10-6-7-16(20)18-15-11-14(17)9-8-12(15)2/h8-9,11,13H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyQXTOPXKGFSLPNW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide

N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide (PubChem CID 43272550) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
PubChem CID43272550
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)CCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C16H27N3O/c1-5-13(3)19(4)10-6-7-16(20)18-15-11-14(17)9-8-12(15)2/h8-9,11,13H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyQXTOPXKGFSLPNW-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
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-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
CID 79481491
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide (CID 43272550) is N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide is CCC(C)N(C)CCCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The InChIKey is QXTOPXKGFSLPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-13(3)19(4)10-6-7-16(20)18-15-11-14(17)9-8-12(15)2/h8-9,11,13H,5-7,10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide?
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide is sourced from PubChem (CID 43272550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).