2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride

C16H27ClN2O2 — CID 119339710

IUPAC2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CN)c(OCCCC(C)C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)5-4-8-20-15-9-13(3)6-7-14(15)11-18-16(19)10-17;/h6-7,9,12H,4-5,8,10-11,17H2,1-3H3,(H,18,19);1H
InChIKeyGQTWHSNQBIKDAU-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.81
Rot. Bonds8

About 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride

2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119339710) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride
PubChem CID119339710
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CN)c(OCCCC(C)C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)5-4-8-20-15-9-13(3)6-7-14(15)11-18-16(19)10-17;/h6-7,9,12H,4-5,8,10-11,17H2,1-3H3,(H,18,19);1H
InChIKeyGQTWHSNQBIKDAU-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.81
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

2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659
N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339713
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310
4-[[4-methyl-2-(3-methylbutoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674274
4-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]butanamide
CID 119339581
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119811618
2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride (CID 119339710) is 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride is Cc1ccc(CNC(=O)CN)c(OCCCC(C)C)c1.Cl.
What is the InChIKey of 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is GQTWHSNQBIKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(2)5-4-8-20-15-9-13(3)6-7-14(15)11-18-16(19)10-17;/h6-7,9,12H,4-5,8,10-11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride?
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119339710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).