N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide

C24H23N3O3 — CID 3584141

IUPACN-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H23N3O3/c1-16(17-8-11-21(12-9-17)25-24(29)19-6-7-19)26-27-23(28)15-30-22-13-10-18-4-2-3-5-20(18)14-22/h2-5,8-14,19H,6-7,15H2,1H3,(H,25,29)(H,27,28)
InChIKeyLOOYRWZHNKJRPV-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.11
Rot. Bonds7

About N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide

N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide (PubChem CID 3584141) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide
PubChem CID3584141
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H23N3O3/c1-16(17-8-11-21(12-9-17)25-24(29)19-6-7-19)26-27-23(28)15-30-22-13-10-18-4-2-3-5-20(18)14-22/h2-5,8-14,19H,6-7,15H2,1H3,(H,25,29)(H,27,28)
InChIKeyLOOYRWZHNKJRPV-UHFFFAOYSA-N
XLogP4.11
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
N-[4-[C-methyl-N-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 4147902
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6165307

Frequently Asked Questions

What is the IUPAC name of N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide (CID 3584141) is N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide is CC(=NNC(=O)COc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is LOOYRWZHNKJRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16(17-8-11-21(12-9-17)25-24(29)19-6-7-19)26-27-23(28)15-30-22-13-10-18-4-2-3-5-20(18)14-22/h2-5,8-14,19H,6-7,15H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide?
N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[C-methyl-N-[(2-naphthalen-2-yloxyacetyl)amino]carbonimidoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 3584141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).