6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

C19H24N2O2 — CID 142825714

IUPAC6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCCN3CCOCC3)ccc2c1
InChIInChI=1S/C19H24N2O2/c1-15-3-4-17-14-18(6-5-16(17)13-15)19(22)20-7-2-8-21-9-11-23-12-10-21/h3-6,13-14H,2,7-12H2,1H3,(H,20,22)
InChIKeyBSHIKHKGDPATSC-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.60
Rot. Bonds5

About 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (PubChem CID 142825714) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
PubChem CID142825714
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCCN3CCOCC3)ccc2c1
InChIInChI=1S/C19H24N2O2/c1-15-3-4-17-14-18(6-5-16(17)13-15)19(22)20-7-2-8-21-9-11-23-12-10-21/h3-6,13-14H,2,7-12H2,1H3,(H,20,22)
InChIKeyBSHIKHKGDPATSC-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (CID 142825714) is 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is Cc1ccc2cc(C(=O)NCCCN3CCOCC3)ccc2c1.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
The InChIKey is BSHIKHKGDPATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-3-4-17-14-18(6-5-16(17)13-15)19(22)20-7-2-8-21-9-11-23-12-10-21/h3-6,13-14H,2,7-12H2,1H3,(H,20,22).
What are the key properties of 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 142825714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).