2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide

C18H30N2O3 — CID 119811650

IUPAC2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(C)cc1OCCCOC
InChIInChI=1S/C18H30N2O3/c1-5-9-18(3,19)17(21)20-13-15-8-7-14(2)12-16(15)23-11-6-10-22-4/h7-8,12H,5-6,9-11,13,19H2,1-4H3,(H,20,21)
InChIKeyYESCQYRLNTVZPJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.54
Rot. Bonds10

About 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide

2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide (PubChem CID 119811650) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide
PubChem CID119811650
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(C)cc1OCCCOC
InChIInChI=1S/C18H30N2O3/c1-5-9-18(3,19)17(21)20-13-15-8-7-14(2)12-16(15)23-11-6-10-22-4/h7-8,12H,5-6,9-11,13,19H2,1-4H3,(H,20,21)
InChIKeyYESCQYRLNTVZPJ-UHFFFAOYSA-N
XLogP2.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379
2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120637377
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpentanamide
CID 119693075
3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119811618
4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
CID 119811646
3-[[2-(3-methoxypropoxy)-4-methylphenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005901
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
CID 120637316
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119339585
1-[[2-(3-methoxypropoxy)-4-methylphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005892

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide (CID 119811650) is 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCc1ccc(C)cc1OCCCOC.
What is the InChIKey of 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide?
The InChIKey is YESCQYRLNTVZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-9-18(3,19)17(21)20-13-15-8-7-14(2)12-16(15)23-11-6-10-22-4/h7-8,12H,5-6,9-11,13,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide?
2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide has a molecular weight of 322.45 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide is sourced from PubChem (CID 119811650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).