1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide

C20H30N2O3 — CID 57101716

IUPAC1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCCCCCCCCCCC1(C(N)=O)CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H30N2O3/c1-2-3-4-5-6-7-8-9-14-20(19(21)23)15-18(20)16-10-12-17(13-11-16)22(24)25/h10-13,18H,2-9,14-15H2,1H3,(H2,21,23)
InChIKeyMAHJCJGICWLSIX-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.08
Rot. Bonds12

About 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide

1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 57101716) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID57101716
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCCCCCCCCCCC1(C(N)=O)CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H30N2O3/c1-2-3-4-5-6-7-8-9-14-20(19(21)23)15-18(20)16-10-12-17(13-11-16)22(24)25/h10-13,18H,2-9,14-15H2,1H3,(H2,21,23)
InChIKeyMAHJCJGICWLSIX-UHFFFAOYSA-N
XLogP5.08
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide (CID 57101716) is 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide is CCCCCCCCCCC1(C(N)=O)CC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is MAHJCJGICWLSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-3-4-5-6-7-8-9-14-20(19(21)23)15-18(20)16-10-12-17(13-11-16)22(24)25/h10-13,18H,2-9,14-15H2,1H3,(H2,21,23).
What are the key properties of 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide?
1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 5.08, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-(4-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 57101716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).