4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide

C16H20N2O2 — CID 177151717

IUPAC4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-16(2,9-10-19)18-15(20)13-7-8-14(17)12-6-4-3-5-11(12)13/h3-8,19H,9-10,17H2,1-2H3,(H,18,20)
InChIKeyUDOXIUUZGMHOBH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds4

About 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide

4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide (PubChem CID 177151717) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
PubChem CID177151717
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-16(2,9-10-19)18-15(20)13-7-8-14(17)12-6-4-3-5-11(12)13/h3-8,19H,9-10,17H2,1-2H3,(H,18,20)
InChIKeyUDOXIUUZGMHOBH-UHFFFAOYSA-N
XLogP2.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
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

2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 102739297
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113356422
N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide
CID 122143069
methyl (2R)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 90972320
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methoxypropanoate
CID 59948439
N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide
CID 103944788
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide (CID 177151717) is 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide is CC(C)(CCO)NC(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide?
The InChIKey is UDOXIUUZGMHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,9-10-19)18-15(20)13-7-8-14(17)12-6-4-3-5-11(12)13/h3-8,19H,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide?
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 177151717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).