trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide

C27H30N2O2 — CID 118727606

IUPACtrans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESCO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-19(31-2)26(28)18-29(27(30)25-17-24(25)22-11-7-4-8-12-22)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24-26H,17-18,28H2,1-2H3/t19-,24+,25-,26-/m1/s1
InChIKeyGKERYGVFGYWXCK-NRVHTZAHSA-N
MW414.55 g/mol
LogP4.85
Rot. Bonds8

About trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 118727606) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID118727606
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Nametrans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESCO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-19(31-2)26(28)18-29(27(30)25-17-24(25)22-11-7-4-8-12-22)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24-26H,17-18,28H2,1-2H3/t19-,24+,25-,26-/m1/s1
InChIKeyGKERYGVFGYWXCK-NRVHTZAHSA-N
XLogP4.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-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-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 11014664
trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 118727607
trans-(1R,2R)-N-[(2S)-2-amino-2-cyclohexylethyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 118730169
N-[2-(4-Acetylamino-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
CID 10003801
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide
CID 2558228
N-{2-[4-(diphenylacetyl)-1-piperazinyl]ethyl}-N'-(4-methylphenyl)ethanediamide
CID 2915051
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
CID 4880635
2-(4-acetamidophenyl)-N-(3,3-diphenylpropyl)acetamide
CID 9509690
2-(4-Acetylamino-phenyl)-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide
CID 44392148
(S)-N-(1-(2-amino-3,3-diphenylpropanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425374
trans-(1R,2R)-N-[(2S)-2-amino-2-phenylethyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 118727604
trans-(1R,2R)-N-[(2S)-2-amino-3-methylbutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 118727605

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide (CID 118727606) is trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide is CO[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GKERYGVFGYWXCK-NRVHTZAHSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-19(31-2)26(28)18-29(27(30)25-17-24(25)22-11-7-4-8-12-22)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24-26H,17-18,28H2,1-2H3/t19-,24+,25-,26-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118727606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).