trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide

C22H26N2O2 — CID 118182243

IUPACtrans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C(=O)Nc2cccc(N3CCOCC3)c2)[C@H]1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-22(2)19(16-7-4-3-5-8-16)20(22)21(25)23-17-9-6-10-18(15-17)24-11-13-26-14-12-24/h3-10,15,19-20H,11-14H2,1-2H3,(H,23,25)/t19-,20+/m1/s1
InChIKeySGTCTXDICFPYSK-UXHICEINSA-N
MW350.46 g/mol
LogP3.90
Rot. Bonds4

About trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide

trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 118182243) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID118182243
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Nametrans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C(=O)Nc2cccc(N3CCOCC3)c2)[C@H]1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-22(2)19(16-7-4-3-5-8-16)20(22)21(25)23-17-9-6-10-18(15-17)24-11-13-26-14-12-24/h3-10,15,19-20H,11-14H2,1-2H3,(H,23,25)/t19-,20+/m1/s1
InChIKeySGTCTXDICFPYSK-UXHICEINSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-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

Related Compounds

2-(2,2-dimethyl-3-phenylcyclopropyl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 123186065
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid
CID 56797524
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2,2-dimethyl-3-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 118160738
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305
1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 167749594

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide (CID 118182243) is trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide is CC1(C)[C@H](C(=O)Nc2cccc(N3CCOCC3)c2)[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is SGTCTXDICFPYSK-UXHICEINSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2)19(16-7-4-3-5-8-16)20(22)21(25)23-17-9-6-10-18(15-17)24-11-13-26-14-12-24/h3-10,15,19-20H,11-14H2,1-2H3,(H,23,25)/t19-,20+/m1/s1.
What are the key properties of trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide?
trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-dimethyl-N-(3-morpholin-4-ylphenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 118182243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).