2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide

C20H19N3O3 — CID 9397574

IUPAC2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)21-13-20(24)22-16-9-11-17(12-10-16)23(25)26/h2-12,14,21H,13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyPNQWIHYBGLLXHY-AWEZNQCLSA-N
MW349.39 g/mol
LogP4.04
Rot. Bonds6

About 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide

2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide (PubChem CID 9397574) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
PubChem CID9397574
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)21-13-20(24)22-16-9-11-17(12-10-16)23(25)26/h2-12,14,21H,13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyPNQWIHYBGLLXHY-AWEZNQCLSA-N
XLogP4.04
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9307115
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 24636355
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397879
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide (CID 9397574) is 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide is C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12.
What is the InChIKey of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is PNQWIHYBGLLXHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)21-13-20(24)22-16-9-11-17(12-10-16)23(25)26/h2-12,14,21H,13H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide?
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9397574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).