2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride

C19H31ClN2O2 — CID 119787376

IUPAC2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCOC1CCCc2ccccc21.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-12-19(2,20)18(22)21-13-7-14-23-17-11-6-9-15-8-4-5-10-16(15)17;/h4-5,8,10,17H,3,6-7,9,11-14,20H2,1-2H3,(H,21,22);1H
InChIKeyMUMAIOBIUXMXMA-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.53
Rot. Bonds8

About 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride (PubChem CID 119787376) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride
PubChem CID119787376
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCOC1CCCc2ccccc21.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-12-19(2,20)18(22)21-13-7-14-23-17-11-6-9-15-8-4-5-10-16(15)17;/h4-5,8,10,17H,3,6-7,9,11-14,20H2,1-2H3,(H,21,22);1H
InChIKeyMUMAIOBIUXMXMA-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.53
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-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
4-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 119787364
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylpentanamide;hydrochloride
CID 119783207
4-amino-3-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]butanamide
CID 120592406
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 95906107
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185393
2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378100

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride (CID 119787376) is 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCCOC1CCCc2ccccc21.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride?
The InChIKey is MUMAIOBIUXMXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-3-12-19(2,20)18(22)21-13-7-14-23-17-11-6-9-15-8-4-5-10-16(15)17;/h4-5,8,10,17H,3,6-7,9,11-14,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119787376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).