N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide

C25H24N2O2 — CID 178099703

IUPACN-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1(c2cccc(-c3ccccc3)c2)CC1)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-26-23(28)22(19-11-6-3-7-12-19)27-24(29)25(15-16-25)21-14-8-13-20(17-21)18-9-4-2-5-10-18/h2-14,17,22H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyIFDILGKXQQIURF-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide

N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 178099703) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID178099703
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide
SMILESCNC(=O)C(NC(=O)C1(c2cccc(-c3ccccc3)c2)CC1)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-26-23(28)22(19-11-6-3-7-12-19)27-24(29)25(15-16-25)21-14-8-13-20(17-21)18-9-4-2-5-10-18/h2-14,17,22H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyIFDILGKXQQIURF-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide (CID 178099703) is N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide is CNC(=O)C(NC(=O)C1(c2cccc(-c3ccccc3)c2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is IFDILGKXQQIURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-26-23(28)22(19-11-6-3-7-12-19)27-24(29)25(15-16-25)21-14-8-13-20(17-21)18-9-4-2-5-10-18/h2-14,17,22H,15-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide?
N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxo-1-phenylethyl]-1-(3-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 178099703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).