2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide

C18H28N2O2 — CID 119787357

IUPAC2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
SMILESCNCC(C)C(=O)NCCCOC1CCCc2ccccc21
InChIInChI=1S/C18H28N2O2/c1-14(13-19-2)18(21)20-11-6-12-22-17-10-5-8-15-7-3-4-9-16(15)17/h3-4,7,9,14,17,19H,5-6,8,10-13H2,1-2H3,(H,20,21)
InChIKeyYHDSFZUTCIBHKH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.44
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide

2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide (PubChem CID 119787357) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
PubChem CID119787357
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
SMILESCNCC(C)C(=O)NCCCOC1CCCc2ccccc21
InChIInChI=1S/C18H28N2O2/c1-14(13-19-2)18(21)20-11-6-12-22-17-10-5-8-15-7-3-4-9-16(15)17/h3-4,7,9,14,17,19H,5-6,8,10-13H2,1-2H3,(H,20,21)
InChIKeyYHDSFZUTCIBHKH-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.44
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

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-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111792021
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
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
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185393
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
2-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide
CID 119032738
4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide
CID 111173783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide (CID 119787357) is 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide is CNCC(C)C(=O)NCCCOC1CCCc2ccccc21.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide?
The InChIKey is YHDSFZUTCIBHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(13-19-2)18(21)20-11-6-12-22-17-10-5-8-15-7-3-4-9-16(15)17/h3-4,7,9,14,17,19H,5-6,8,10-13H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide?
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide is sourced from PubChem (CID 119787357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).