3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide

C15H18N2O2 — CID 102694900

IUPAC3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
SMILESCOC(C)CNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2O2/c1-10(19-2)9-17-15(18)13-7-11-5-3-4-6-12(11)8-14(13)16/h3-8,10H,9,16H2,1-2H3,(H,17,18)
InChIKeyXLZOPFUFKSSXSH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide

3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide (PubChem CID 102694900) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
PubChem CID102694900
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
SMILESCOC(C)CNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2O2/c1-10(19-2)9-17-15(18)13-7-11-5-3-4-6-12(11)8-14(13)16/h3-8,10H,9,16H2,1-2H3,(H,17,18)
InChIKeyXLZOPFUFKSSXSH-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-methoxybutanoate
CID 69435371
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
CID 102694295
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-propan-2-yloxybutanoate
CID 69439961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide (CID 102694900) is 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide is COC(C)CNC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide?
The InChIKey is XLZOPFUFKSSXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(19-2)9-17-15(18)13-7-11-5-3-4-6-12(11)8-14(13)16/h3-8,10H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide?
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 102694900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).