N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide

C14H14N2O3 — CID 107261317

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O3/c15-13(18)12(17)8-16-14(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,17H,8H2,(H2,15,18)(H,16,19)
InChIKeyRJMDCBWTLWGLSF-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.42
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide (PubChem CID 107261317) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
PubChem CID107261317
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O3/c15-13(18)12(17)8-16-14(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,17H,8H2,(H2,15,18)(H,16,19)
InChIKeyRJMDCBWTLWGLSF-UHFFFAOYSA-N
XLogP0.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
CID 106164507
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106175565
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
N-propylnaphthalene-2-carboxamide
CID 6624536

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide (CID 107261317) is N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide is NC(=O)C(O)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide?
The InChIKey is RJMDCBWTLWGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-13(18)12(17)8-16-14(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,17H,8H2,(H2,15,18)(H,16,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 107261317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).