2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide

C25H30N2O3 — CID 7330881

IUPAC2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCCOc2ccccc2)C1(C)C
InChIInChI=1S/C25H30N2O3/c1-17(2)16-20-22(25(20,3)4)24(29)27-21-13-9-8-12-19(21)23(28)26-14-15-30-18-10-6-5-7-11-18/h5-13,16,20,22H,14-15H2,1-4H3,(H,26,28)(H,27,29)/t20-,22-/m1/s1
InChIKeyRVFACBFRVKGFPG-IFMALSPDSA-N
MW406.53 g/mol
LogP4.67
Rot. Bonds8

About 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide

2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide (PubChem CID 7330881) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide
PubChem CID7330881
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCCOc2ccccc2)C1(C)C
InChIInChI=1S/C25H30N2O3/c1-17(2)16-20-22(25(20,3)4)24(29)27-21-13-9-8-12-19(21)23(28)26-14-15-30-18-10-6-5-7-11-18/h5-13,16,20,22H,14-15H2,1-4H3,(H,26,28)(H,27,29)/t20-,22-/m1/s1
InChIKeyRVFACBFRVKGFPG-IFMALSPDSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
CID 60572075
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24534677
2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 2298863
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 3571392
N-[4-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 4920320
N-(2,5-dimethylphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42923994
3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 5301073
2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24625156

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide (CID 7330881) is 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide is CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCCOc2ccccc2)C1(C)C.
What is the InChIKey of 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide?
The InChIKey is RVFACBFRVKGFPG-IFMALSPDSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-17(2)16-20-22(25(20,3)4)24(29)27-21-13-9-8-12-19(21)23(28)26-14-15-30-18-10-6-5-7-11-18/h5-13,16,20,22H,14-15H2,1-4H3,(H,26,28)(H,27,29)/t20-,22-/m1/s1.
What are the key properties of 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide?
2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide has a molecular weight of 406.53 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 7330881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).