N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide

C20H26N2O2 — CID 120567831

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide
SMILESNCC(NC(=O)CCC1CCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O2/c21-14-19(17-9-8-15-5-1-2-6-16(15)13-17)22-20(23)11-10-18-7-3-4-12-24-18/h1-2,5-6,8-9,13,18-19H,3-4,7,10-12,14,21H2,(H,22,23)
InChIKeyUSMKATWUYZNPDP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.31
Rot. Bonds6

About N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide

N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide (PubChem CID 120567831) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide
PubChem CID120567831
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide
SMILESNCC(NC(=O)CCC1CCCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C20H26N2O2/c21-14-19(17-9-8-15-5-1-2-6-16(15)13-17)22-20(23)11-10-18-7-3-4-12-24-18/h1-2,5-6,8-9,13,18-19H,3-4,7,10-12,14,21H2,(H,22,23)
InChIKeyUSMKATWUYZNPDP-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]naphthalene-2-carboxamide
CID 44303265
(2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-N-naphthalen-2-ylmethyl-butyramide
CID 44381636
(2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-N-(1-naphthalen-2-yl-ethyl)-butyramide
CID 44381648
(R)-2-amino-N-(5-aminopentyl)-N-benzyl-3-(naphthalen-2-yl)propanamide
CID 44434657
(S)-2-amino-N-(5-aminopentyl)-N-benzyl-3-(naphthalen-2-yl)propanamide
CID 44434658
2-amino-N-benzyl-2-naphthalen-2-ylacetamide
CID 14522750
2-acetamido-N-benzyl-2-naphthalen-2-ylacetamide
CID 14522751
N-[2-(4-methylphenyl)-2-(morpholin-4-yl)ethyl]-2-(naphthalen-1-yl)acetamide
CID 16804393
4-methyl-N-(naphthalen-1-ylmethyl)oxane-4-carboxamide
CID 134789192
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 42195416
N-(2-(dimethylamino)-2-(p-tolyl)ethyl)-2-(naphthalen-1-yl)acetamide
CID 18588978
propan-2-yl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 16058814

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide (CID 120567831) is N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide is NCC(NC(=O)CCC1CCCCO1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide?
The InChIKey is USMKATWUYZNPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c21-14-19(17-9-8-15-5-1-2-6-16(15)13-17)22-20(23)11-10-18-7-3-4-12-24-18/h1-2,5-6,8-9,13,18-19H,3-4,7,10-12,14,21H2,(H,22,23).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide?
N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 120567831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).