N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide

C16H27N3O — CID 43265362

IUPACN-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1ccc(N)cc1C)C(C)C
InChIInChI=1S/C16H27N3O/c1-5-19(12(2)3)10-6-7-16(20)18-15-9-8-14(17)11-13(15)4/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyMAINHMMRZGTBFT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds7

About N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide

N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide (PubChem CID 43265362) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
PubChem CID43265362
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1ccc(N)cc1C)C(C)C
InChIInChI=1S/C16H27N3O/c1-5-19(12(2)3)10-6-7-16(20)18-15-9-8-14(17)11-13(15)4/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20)
InChIKeyMAINHMMRZGTBFT-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-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995316
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide (CID 43265362) is N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide is CCN(CCCC(=O)Nc1ccc(N)cc1C)C(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide?
The InChIKey is MAINHMMRZGTBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19(12(2)3)10-6-7-16(20)18-15-9-8-14(17)11-13(15)4/h8-9,11-12H,5-7,10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide?
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)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-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 43265362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).