trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide

C28H25NO — CID 11440730

IUPACtrans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1[C@H](c2ccccc2)[C@H]1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H25NO/c1-19(23-18-10-16-20-11-8-9-17-24(20)23)29-28(30)27-25(21-12-4-2-5-13-21)26(27)22-14-6-3-7-15-22/h2-19,25-27H,1H3,(H,29,30)/t19-,25+,26+/m0/s1
InChIKeyXWSOISHDHQYUOX-AFWDCEBSSA-N
MW391.51 g/mol
LogP6.21
Rot. Bonds5

About trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide

trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide (PubChem CID 11440730) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
PubChem CID11440730
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Nametrans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1[C@H](c2ccccc2)[C@H]1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H25NO/c1-19(23-18-10-16-20-11-8-9-17-24(20)23)29-28(30)27-25(21-12-4-2-5-13-21)26(27)22-14-6-3-7-15-22/h2-19,25-27H,1H3,(H,29,30)/t19-,25+,26+/m0/s1
InChIKeyXWSOISHDHQYUOX-AFWDCEBSSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-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

Related Compounds

N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
3-amino-N-(1-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686987
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467355
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide (CID 11440730) is trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide is C[C@H](NC(=O)C1[C@H](c2ccccc2)[C@H]1c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide?
The InChIKey is XWSOISHDHQYUOX-AFWDCEBSSA-N. The full InChI is InChI=1S/C28H25NO/c1-19(23-18-10-16-20-11-8-9-17-24(20)23)29-28(30)27-25(21-12-4-2-5-13-21)26(27)22-14-6-3-7-15-22/h2-19,25-27H,1H3,(H,29,30)/t19-,25+,26+/m0/s1.
What are the key properties of trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide?
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11440730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).