N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide

C25H31NO2 — CID 3935964

IUPACN-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide
SMILESCCC(NC(=O)c1cc2ccccc2cc1OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H31NO2/c1-3-23(25-13-16-8-17(14-25)10-18(9-16)15-25)26-24(27)21-11-19-6-4-5-7-20(19)12-22(21)28-2/h4-7,11-12,16-18,23H,3,8-10,13-15H2,1-2H3,(H,26,27)
InChIKeyNYJZQZCOMQKJSQ-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.57
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide

N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 3935964) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID3935964
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC NameN-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide
SMILESCCC(NC(=O)c1cc2ccccc2cc1OC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H31NO2/c1-3-23(25-13-16-8-17(14-25)10-18(9-16)15-25)26-24(27)21-11-19-6-4-5-7-20(19)12-22(21)28-2/h4-7,11-12,16-18,23H,3,8-10,13-15H2,1-2H3,(H,26,27)
InChIKeyNYJZQZCOMQKJSQ-UHFFFAOYSA-N
XLogP5.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 51923318
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 51872779
N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509714
N-[(1S)-1-(1-adamantyl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51873180
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
N-[1-(1-adamantyl)propyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19584390
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 43011536
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide (CID 3935964) is N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide is CCC(NC(=O)c1cc2ccccc2cc1OC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is NYJZQZCOMQKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-3-23(25-13-16-8-17(14-25)10-18(9-16)15-25)26-24(27)21-11-19-6-4-5-7-20(19)12-22(21)28-2/h4-7,11-12,16-18,23H,3,8-10,13-15H2,1-2H3,(H,26,27).
What are the key properties of N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide?
N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3935964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).