N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide

C18H30N2O2 — CID 119598722

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-14(2)12-18(4,13-19)20-17(21)9-6-10-22-16-8-5-7-15(3)11-16/h5,7-8,11,14H,6,9-10,12-13,19H2,1-4H3,(H,20,21)
InChIKeyQFZZHAFXELTRRR-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.03
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide (PubChem CID 119598722) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide
PubChem CID119598722
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-14(2)12-18(4,13-19)20-17(21)9-6-10-22-16-8-5-7-15(3)11-16/h5,7-8,11,14H,6,9-10,12-13,19H2,1-4H3,(H,20,21)
InChIKeyQFZZHAFXELTRRR-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119607770
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119599005
4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189
(2S,3R)-3-hydroxy-2-[4-(3-methylphenoxy)butanoylamino]butanoic acid
CID 104965093
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-(4-hydroxy-2-methylbutyl)-4-(3-methylphenoxy)butanamide
CID 66107103

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide (CID 119598722) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NC(C)(CN)CC(C)C)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide?
The InChIKey is QFZZHAFXELTRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)12-18(4,13-19)20-17(21)9-6-10-22-16-8-5-7-15(3)11-16/h5,7-8,11,14H,6,9-10,12-13,19H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide has a molecular weight of 306.45 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 119598722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).