4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide

C14H22N2O — CID 54924530

IUPAC4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H22N2O/c1-11(2)12-7-4-5-8-13(12)16-14(17)9-6-10-15-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17)
InChIKeyAQBABPZRZIXVCF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.75
Rot. Bonds6

About 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide

4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 54924530) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
PubChem CID54924530
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
SMILESCNCCCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H22N2O/c1-11(2)12-7-4-5-8-13(12)16-14(17)9-6-10-15-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17)
InChIKeyAQBABPZRZIXVCF-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide (CID 54924530) is 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide is CNCCCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is AQBABPZRZIXVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)12-7-4-5-8-13(12)16-14(17)9-6-10-15-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide?
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 54924530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).