trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

C21H26N2O2 — CID 95286253

IUPACtrans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C21H26N2O2/c1-23(2)14-16-9-5-4-8-15(16)13-22-21(24)19-12-18(19)17-10-6-7-11-20(17)25-3/h4-11,18-19H,12-14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyGRXBUYMDPRHCGH-RBUKOAKNSA-N
MW338.45 g/mol
LogP3.18
Rot. Bonds7

About trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 95286253) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID95286253
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Nametrans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C21H26N2O2/c1-23(2)14-16-9-5-4-8-15(16)13-22-21(24)19-12-18(19)17-10-6-7-11-20(17)25-3/h4-11,18-19H,12-14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyGRXBUYMDPRHCGH-RBUKOAKNSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292258
trans-(1R,2R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 98760900
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 138039139
N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681294
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 112829742
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292771
2-(2-methoxyphenyl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 56785478
trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773716
trans-(1S,2S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773714
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 111482672
trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95769974
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 95286253) is trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is GRXBUYMDPRHCGH-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)14-16-9-5-4-8-15(16)13-22-21(24)19-12-18(19)17-10-6-7-11-20(17)25-3/h4-11,18-19H,12-14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95286253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).