trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide

C26H27NO2 — CID 58459808

IUPACtrans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO2/c1-3-25(27-26(28)24-17-23(24)20-7-5-4-6-8-20)21-11-9-18(10-12-21)19-13-15-22(29-2)16-14-19/h4-16,23-25H,3,17H2,1-2H3,(H,27,28)/t23-,24+,25+/m1/s1
InChIKeyXXQRMVONZZWLKF-DSITVLBTSA-N
MW385.51 g/mol
LogP5.73
Rot. Bonds7

About trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 58459808) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID58459808
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Nametrans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO2/c1-3-25(27-26(28)24-17-23(24)20-7-5-4-6-8-20)21-11-9-18(10-12-21)19-13-15-22(29-2)16-14-19/h4-16,23-25H,3,17H2,1-2H3,(H,27,28)/t23-,24+,25+/m1/s1
InChIKeyXXQRMVONZZWLKF-DSITVLBTSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide (CID 58459808) is trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide is CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XXQRMVONZZWLKF-DSITVLBTSA-N. The full InChI is InChI=1S/C26H27NO2/c1-3-25(27-26(28)24-17-23(24)20-7-5-4-6-8-20)21-11-9-18(10-12-21)19-13-15-22(29-2)16-14-19/h4-16,23-25H,3,17H2,1-2H3,(H,27,28)/t23-,24+,25+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1S)-1-[4-(4-methoxyphenyl)phenyl]propyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 58459808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).