N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide

C19H23N3O4 — CID 119525329

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O4/c1-13(2)14-6-8-15(9-7-14)18(20)11-21-19(23)12-26-17-5-3-4-16(10-17)22(24)25/h3-10,13,18H,11-12,20H2,1-2H3,(H,21,23)
InChIKeyBRFSDBQGPWKESP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.91
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide (PubChem CID 119525329) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide
PubChem CID119525329
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O4/c1-13(2)14-6-8-15(9-7-14)18(20)11-21-19(23)12-26-17-5-3-4-16(10-17)22(24)25/h3-10,13,18H,11-12,20H2,1-2H3,(H,21,23)
InChIKeyBRFSDBQGPWKESP-UHFFFAOYSA-N
XLogP2.91
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119526498
N-(2-hydroxy-4-methylpentyl)-2-(3-nitrophenoxy)acetamide
CID 103771368
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide
CID 119526281
N-[1-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 119525599
1-(3-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871027
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601
[2-(3-nitroanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598010
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
2-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 107832577
2-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 43469185
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2-nitrophenoxy)propanamide
CID 119526461

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide (CID 119525329) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide is CC(C)c1ccc(C(N)CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is BRFSDBQGPWKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(2)14-6-8-15(9-7-14)18(20)11-21-19(23)12-26-17-5-3-4-16(10-17)22(24)25/h3-10,13,18H,11-12,20H2,1-2H3,(H,21,23).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 119525329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).