N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide

C16H20N2O2 — CID 43319188

IUPACN-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide
SMILESCCN(CCCN)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H20N2O2/c1-2-18(11-5-10-17)16(20)14-9-8-12-6-3-4-7-13(12)15(14)19/h3-4,6-9,19H,2,5,10-11,17H2,1H3
InChIKeyCRURYDQXGQYRTE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.36
Rot. Bonds5

About N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide

N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide (PubChem CID 43319188) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide
PubChem CID43319188
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide
SMILESCCN(CCCN)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H20N2O2/c1-2-18(11-5-10-17)16(20)14-9-8-12-6-3-4-7-13(12)15(14)19/h3-4,6-9,19H,2,5,10-11,17H2,1H3
InChIKeyCRURYDQXGQYRTE-UHFFFAOYSA-N
XLogP2.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide
CID 43319197
N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
CID 78971167
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid
CID 60988949
N-(2-aminoethyl)-N-cyclobutyl-1-hydroxynaphthalene-2-carboxamide
CID 102874121
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide (CID 43319188) is N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide is CCN(CCCN)C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is CRURYDQXGQYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18(11-5-10-17)16(20)14-9-8-12-6-3-4-7-13(12)15(14)19/h3-4,6-9,19H,2,5,10-11,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide?
N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 43319188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).