2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide

C18H20N2O4 — CID 2632338

IUPAC2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c1-14(7-8-15-5-3-2-4-6-15)19-18(21)13-24-17-11-9-16(10-12-17)20(22)23/h2-6,9-12,14H,7-8,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyYQSMHYMJPBGMSY-CQSZACIVSA-N
MW328.37 g/mol
LogP3.11
Rot. Bonds8

About 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 2632338) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID2632338
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O4/c1-14(7-8-15-5-3-2-4-6-15)19-18(21)13-24-17-11-9-16(10-12-17)20(22)23/h2-6,9-12,14H,7-8,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyYQSMHYMJPBGMSY-CQSZACIVSA-N
XLogP3.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
(4-nitrophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842104
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
CID 55849368
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7769987
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 2632338) is 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is YQSMHYMJPBGMSY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-14(7-8-15-5-3-2-4-6-15)19-18(21)13-24-17-11-9-16(10-12-17)20(22)23/h2-6,9-12,14H,7-8,13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 2632338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).