acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane

C18H28N2O5 — CID 143322097

IUPACacetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane
SMILESCC.CC(N)=O.O=C(CCc1ccc([N+](=O)[O-])cc1)OC1CCCC1
InChIInChI=1S/C14H17NO4.C2H5NO.C2H6/c16-14(19-13-3-1-2-4-13)10-7-11-5-8-12(9-6-11)15(17)18;1-2(3)4;1-2/h5-6,8-9,13H,1-4,7,10H2;1H3,(H2,3,4);1-2H3
InChIKeyNRLHICXFKSFINH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.53
Rot. Bonds5

About acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane

acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane (PubChem CID 143322097) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane.

Molecular Properties

Compound Nameacetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane
PubChem CID143322097
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Nameacetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane
SMILESCC.CC(N)=O.O=C(CCc1ccc([N+](=O)[O-])cc1)OC1CCCC1
InChIInChI=1S/C14H17NO4.C2H5NO.C2H6/c16-14(19-13-3-1-2-4-13)10-7-11-5-8-12(9-6-11)15(17)18;1-2(3)4;1-2/h5-6,8-9,13H,1-4,7,10H2;1H3,(H2,3,4);1-2H3
InChIKeyNRLHICXFKSFINH-UHFFFAOYSA-N
XLogP3.53
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
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

sodium;(carbamoylamino) 3-(4-nitrophenyl)propanoate;hydride
CID 175060569
3-(4-nitrophenyl)propanoate
CID 6923582
cyclopropyl N-tert-butyl-N-[2-(4-nitrophenyl)ethyl]carbamate
CID 174498668
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
acetic acid;N-carbamoyl-3-(4-nitrophenyl)propanamide
CID 139082247
ethyl 3-[4-(4-nitrophenoxy)phenyl]propanoate;1-fluoro-4-nitrobenzene
CID 159201025
5-(4-nitrophenyl)pentyl acetate
CID 101451915
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
bis[2-(4-nitrophenyl)ethyl] hexanedioate
CID 132820351
1-(azetidin-1-yl)-3-(4-nitrophenyl)propan-1-one
CID 69030579
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
(3-methylcyclohexyl) 3-(4-cyanophenyl)propanoate
CID 78828916

Frequently Asked Questions

What is the IUPAC name of acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane?
The IUPAC name of acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane (CID 143322097) is acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane.
What is the SMILES notation for acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane?
The canonical SMILES for acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane is CC.CC(N)=O.O=C(CCc1ccc([N+](=O)[O-])cc1)OC1CCCC1.
What is the InChIKey of acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane?
The InChIKey is NRLHICXFKSFINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4.C2H5NO.C2H6/c16-14(19-13-3-1-2-4-13)10-7-11-5-8-12(9-6-11)15(17)18;1-2(3)4;1-2/h5-6,8-9,13H,1-4,7,10H2;1H3,(H2,3,4);1-2H3.
What are the key properties of acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane?
acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane has a molecular weight of 352.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;cyclopentyl 3-(4-nitrophenyl)propanoate;ethane is sourced from PubChem (CID 143322097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).