3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide

C15H18N2O2 — CID 61209365

IUPAC3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2O2/c1-15(2,9-18)17-14(19)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-8,18H,9,16H2,1-2H3,(H,17,19)
InChIKeyISFQVTMHXLSMKH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.92
Rot. Bonds3

About 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide (PubChem CID 61209365) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
PubChem CID61209365
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2O2/c1-15(2,9-18)17-14(19)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-8,18H,9,16H2,1-2H3,(H,17,19)
InChIKeyISFQVTMHXLSMKH-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
CID 110000875
(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-2-(4-methylcyclohexyl)propanoic acid;hydrochloride
CID 69433167
2-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110463483
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
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
6-amino-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 71114856
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 4802439

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide (CID 61209365) is 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide is CC(C)(CO)NC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide?
The InChIKey is ISFQVTMHXLSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,9-18)17-14(19)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-8,18H,9,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide?
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 61209365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).