2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide

C25H23N3O3 — CID 4611219

IUPAC2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C25H23N3O3/c1-17-7-11-20(12-8-17)25(21-13-9-18(2)10-14-21)15-22(25)24(29)27-26-16-19-5-3-4-6-23(19)28(30)31/h3-14,16,22H,15H2,1-2H3,(H,27,29)
InChIKeyZVFBMWSBGUKMPJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.67
Rot. Bonds6

About 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide

2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 4611219) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID4611219
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C25H23N3O3/c1-17-7-11-20(12-8-17)25(21-13-9-18(2)10-14-21)15-22(25)24(29)27-26-16-19-5-3-4-6-23(19)28(30)31/h3-14,16,22H,15H2,1-2H3,(H,27,29)
InChIKeyZVFBMWSBGUKMPJ-UHFFFAOYSA-N
XLogP4.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 3093090
1-(4-methylphenyl)-3-[(2-nitrophenyl)methylideneamino]thiourea
CID 777040
(1R,6R)-N-[(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129431796
cis-(1R,2S)-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975322
trans-(1S,2S)-N-[(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 1237032
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
(1R)-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135827827
(1R)-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135796336
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135478376
1-(2-methylbenzoyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126012744
(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7070939

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide (CID 4611219) is 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide is Cc1ccc(C2(c3ccc(C)cc3)CC2C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is ZVFBMWSBGUKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-7-11-20(12-8-17)25(21-13-9-18(2)10-14-21)15-22(25)24(29)27-26-16-19-5-3-4-6-23(19)28(30)31/h3-14,16,22H,15H2,1-2H3,(H,27,29).
What are the key properties of 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide?
2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 4611219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).