N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide

C24H28N2O2 — CID 2296237

IUPACN-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCN(Cc1ccccc1)C(=O)C1CC1)Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23(21-11-12-21)25(17-19-7-3-1-4-8-19)15-16-26(24(28)22-13-14-22)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeySOWUKHVMQYKALC-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.86
Rot. Bonds9

About N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide

N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 2296237) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID2296237
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCN(Cc1ccccc1)C(=O)C1CC1)Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23(21-11-12-21)25(17-19-7-3-1-4-8-19)15-16-26(24(28)22-13-14-22)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeySOWUKHVMQYKALC-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide (CID 2296237) is N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide is O=C(C1CC1)N(CCN(Cc1ccccc1)C(=O)C1CC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is SOWUKHVMQYKALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(21-11-12-21)25(17-19-7-3-1-4-8-19)15-16-26(24(28)22-13-14-22)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2.
What are the key properties of N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide?
N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl(cyclopropanecarbonyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 2296237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).