2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide

C18H20N2O3 — CID 51157947

IUPAC2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O3/c1-14(11-12-15-7-3-2-4-8-15)19-18(21)13-16-9-5-6-10-17(16)20(22)23/h2-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyVMDBSAMGQZXPPA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide

2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 51157947) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID51157947
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O3/c1-14(11-12-15-7-3-2-4-8-15)19-18(21)13-16-9-5-6-10-17(16)20(22)23/h2-10,14H,11-13H2,1H3,(H,19,21)
InChIKeyVMDBSAMGQZXPPA-UHFFFAOYSA-N
XLogP3.27
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-[(2-nitrophenyl)methyl]-4-phenylbutan-2-amine
CID 43182145
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7503731
(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 2186661
(E)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 889264
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65192594
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide (CID 51157947) is 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is VMDBSAMGQZXPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14(11-12-15-7-3-2-4-8-15)19-18(21)13-16-9-5-6-10-17(16)20(22)23/h2-10,14H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 51157947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).