N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C20H23N3O3 — CID 9278484

IUPACN-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O3/c24-20(14-15-9-10-16-5-1-2-6-17(16)13-15)22-12-11-21-18-7-3-4-8-19(18)23(25)26/h3-4,7-10,13,21H,1-2,5-6,11-12,14H2,(H,22,24)
InChIKeyRQLNQCSNKYIVMY-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 9278484) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID9278484
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O3/c24-20(14-15-9-10-16-5-1-2-6-17(16)13-15)22-12-11-21-18-7-3-4-8-19(18)23(25)26/h3-4,7-10,13,21H,1-2,5-6,11-12,14H2,(H,22,24)
InChIKeyRQLNQCSNKYIVMY-UHFFFAOYSA-N
XLogP3.24
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 46612747
N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 51255829
2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278952
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
3-(3,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278604
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278370
1-(4-bromophenyl)-N-[2-(2-nitroanilino)ethyl]cyclobutane-1-carboxamide
CID 33437651
1-cyclohexyl-3-[2-(2-nitroanilino)ethyl]urea
CID 47009180

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 9278484) is N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(Cc1ccc2c(c1)CCCC2)NCCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is RQLNQCSNKYIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(14-15-9-10-16-5-1-2-6-17(16)13-15)22-12-11-21-18-7-3-4-8-19(18)23(25)26/h3-4,7-10,13,21H,1-2,5-6,11-12,14H2,(H,22,24).
What are the key properties of N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 9278484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).