N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide

C13H16N2O4 — CID 71848857

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC1(CO)CC1
InChIInChI=1S/C13H16N2O4/c16-9-13(4-5-13)8-14-12(17)7-10-2-1-3-11(6-10)15(18)19/h1-3,6,16H,4-5,7-9H2,(H,14,17)
InChIKeyWMWOMNPHEPEUDY-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.03
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide (PubChem CID 71848857) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide
PubChem CID71848857
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC1(CO)CC1
InChIInChI=1S/C13H16N2O4/c16-9-13(4-5-13)8-14-12(17)7-10-2-1-3-11(6-10)15(18)19/h1-3,6,16H,4-5,7-9H2,(H,14,17)
InChIKeyWMWOMNPHEPEUDY-UHFFFAOYSA-N
XLogP1.03
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.03
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'}

Analyze N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide
CID 114696422
3-methyl-2-[[[2-(3-nitrophenyl)acetyl]amino]methyl]butanoic acid
CID 104540991
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide (CID 71848857) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide?
The InChIKey is WMWOMNPHEPEUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-9-13(4-5-13)8-14-12(17)7-10-2-1-3-11(6-10)15(18)19/h1-3,6,16H,4-5,7-9H2,(H,14,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 71848857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).