2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide

C14H22N2O2 — CID 115432577

IUPAC2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-14(5-2,9-15)13(18)16-12-7-6-11(17)8-10(12)3/h6-8,17H,4-5,9,15H2,1-3H3,(H,16,18)
InChIKeyZWNNULAOMQEFSP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide

2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide (PubChem CID 115432577) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide
PubChem CID115432577
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-14(5-2,9-15)13(18)16-12-7-6-11(17)8-10(12)3/h6-8,17H,4-5,9,15H2,1-3H3,(H,16,18)
InChIKeyZWNNULAOMQEFSP-UHFFFAOYSA-N
XLogP2.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
CID 82757220
2-(aminomethyl)-2-ethyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62815380
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965
2-[2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]phenyl]acetic acid
CID 115432487
2-(aminomethyl)-2-ethyl-N-(5-methyl-2-nitrophenyl)butanamide
CID 115912622
2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 63036682
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylbenzoic acid
CID 115432532
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzoic acid
CID 115432269
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
N-(4-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide (CID 115432577) is 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide is CCC(CC)(CN)C(=O)Nc1ccc(O)cc1C.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide?
The InChIKey is ZWNNULAOMQEFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(5-2,9-15)13(18)16-12-7-6-11(17)8-10(12)3/h6-8,17H,4-5,9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide is sourced from PubChem (CID 115432577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).