1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide

C16H24N2O — CID 119429829

IUPAC1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCNCCCNC(=O)C1(C)CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(15(19)18-12-6-11-17-2)10-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,17H,5-6,8,10-12H2,1-2H3,(H,18,19)
InChIKeyOYKPDLYDNBRCNV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.01
Rot. Bonds5

About 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide

1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 119429829) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID119429829
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCNCCCNC(=O)C1(C)CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(15(19)18-12-6-11-17-2)10-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,17H,5-6,8,10-12H2,1-2H3,(H,18,19)
InChIKeyOYKPDLYDNBRCNV-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242345
N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 111662301
N-[(3-acetamidophenyl)methyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 51132935
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
2-methyl-5-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226811
2-[4-[[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698564
N-[3-[[(2-chloroacetyl)amino]methyl]-3-phenylcyclobutyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 154875797
1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119449830
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 119224830
(1R)-1-methyl-N-pyridin-3-ylsulfonyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 96523094
1-methyl-N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 120557540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 119429829) is 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide is CNCCCNC(=O)C1(C)CCCc2ccccc21.
What is the InChIKey of 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is OYKPDLYDNBRCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(15(19)18-12-6-11-17-2)10-5-8-13-7-3-4-9-14(13)16/h3-4,7,9,17H,5-6,8,10-12H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 119429829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).