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

C24H28N2O2 — CID 7330873

IUPACN-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C
InChIInChI=1S/C24H28N2O2/c1-16(2)14-19-21(24(19,3)4)23(28)26-20-13-9-8-12-18(20)22(27)25-15-17-10-6-5-7-11-17/h5-14,19,21H,15H2,1-4H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
InChIKeyCJNLULVRNIRSID-PZJWPPBQSA-N
MW376.50 g/mol
LogP4.79
Rot. Bonds6

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

N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 7330873) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID7330873
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C
InChIInChI=1S/C24H28N2O2/c1-16(2)14-19-21(24(19,3)4)23(28)26-20-13-9-8-12-18(20)22(27)25-15-17-10-6-5-7-11-17/h5-14,19,21H,15H2,1-4H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
InChIKeyCJNLULVRNIRSID-PZJWPPBQSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide
CID 7330881
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24534677
N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47148517
N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
CID 60572075
2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 3571392
2-[[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 6920406
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 43045828
trans-benzyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 139984141
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 134023213
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 78429350

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide (CID 7330873) is N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide is CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C.
What is the InChIKey of N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is CJNLULVRNIRSID-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16(2)14-19-21(24(19,3)4)23(28)26-20-13-9-8-12-18(20)22(27)25-15-17-10-6-5-7-11-17/h5-14,19,21H,15H2,1-4H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1.
What are the key properties of N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide?
N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 7330873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).