N-cycloheptyl-2-(4-nitrophenyl)propanamide

C16H22N2O3 — CID 2944341

IUPACN-cycloheptyl-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H22N2O3/c1-12(13-8-10-15(11-9-13)18(20)21)16(19)17-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,17,19)
InChIKeyXNHIWFGUASLCQD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.54
Rot. Bonds4

About N-cycloheptyl-2-(4-nitrophenyl)propanamide

N-cycloheptyl-2-(4-nitrophenyl)propanamide (PubChem CID 2944341) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-nitrophenyl)propanamide
PubChem CID2944341
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cycloheptyl-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H22N2O3/c1-12(13-8-10-15(11-9-13)18(20)21)16(19)17-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,17,19)
InChIKeyXNHIWFGUASLCQD-UHFFFAOYSA-N
XLogP3.54
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-cycloheptyl-2-(4-nitrophenyl)propanamide (CID 2944341) is N-cycloheptyl-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-cycloheptyl-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-cycloheptyl-2-(4-nitrophenyl)propanamide is CC(C(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cycloheptyl-2-(4-nitrophenyl)propanamide?
The InChIKey is XNHIWFGUASLCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(13-8-10-15(11-9-13)18(20)21)16(19)17-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,17,19).
What are the key properties of N-cycloheptyl-2-(4-nitrophenyl)propanamide?
N-cycloheptyl-2-(4-nitrophenyl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2944341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).