N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide

C15H20N2O4 — CID 106704157

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)NCC1CCC(O)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10(12-3-2-4-13(8-12)17(20)21)15(19)16-9-11-5-6-14(18)7-11/h2-4,8,10-11,14,18H,5-7,9H2,1H3,(H,16,19)
InChIKeyHRWAQLRGMCEISX-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.98
Rot. Bonds5

About N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide

N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide (PubChem CID 106704157) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
PubChem CID106704157
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)NCC1CCC(O)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10(12-3-2-4-13(8-12)17(20)21)15(19)16-9-11-5-6-14(18)7-11/h2-4,8,10-11,14,18H,5-7,9H2,1H3,(H,16,19)
InChIKeyHRWAQLRGMCEISX-UHFFFAOYSA-N
XLogP1.98
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.98
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-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide 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-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
CID 106592073
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
3-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785906
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide
CID 106592126
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
4-[[1-(3-nitrophenyl)propylamino]methyl]cyclohexan-1-ol
CID 106127516
3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271362
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(3-nitrophenyl)propan-1-one
CID 106592083

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide (CID 106704157) is N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide is CC(C(=O)NCC1CCC(O)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide?
The InChIKey is HRWAQLRGMCEISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(12-3-2-4-13(8-12)17(20)21)15(19)16-9-11-5-6-14(18)7-11/h2-4,8,10-11,14,18H,5-7,9H2,1H3,(H,16,19).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide?
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide has a molecular weight of 292.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106704157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).