2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide

C24H29N3O2 — CID 173174579

IUPAC2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide
SMILESNC(=O)c1cc(C2(CCN3CCCC3)CC2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c25-23(29)20-17-19(24(10-11-24)12-15-27-13-4-5-14-27)8-9-21(20)26-22(28)16-18-6-2-1-3-7-18/h1-3,6-9,17H,4-5,10-16H2,(H2,25,29)(H,26,28)
InChIKeyJEUMUACEPOUBHO-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.48
Rot. Bonds8

About 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide

2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide (PubChem CID 173174579) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide
PubChem CID173174579
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide
SMILESNC(=O)c1cc(C2(CCN3CCCC3)CC2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c25-23(29)20-17-19(24(10-11-24)12-15-27-13-4-5-14-27)8-9-21(20)26-22(28)16-18-6-2-1-3-7-18/h1-3,6-9,17H,4-5,10-16H2,(H2,25,29)(H,26,28)
InChIKeyJEUMUACEPOUBHO-UHFFFAOYSA-N
XLogP3.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide?
The IUPAC name of 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide (CID 173174579) is 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide is NC(=O)c1cc(C2(CCN3CCCC3)CC2)ccc1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide?
The InChIKey is JEUMUACEPOUBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c25-23(29)20-17-19(24(10-11-24)12-15-27-13-4-5-14-27)8-9-21(20)26-22(28)16-18-6-2-1-3-7-18/h1-3,6-9,17H,4-5,10-16H2,(H2,25,29)(H,26,28).
What are the key properties of 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide?
2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide has a molecular weight of 391.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide is sourced from PubChem (CID 173174579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).