cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C21H26N2O2 — CID 95292258

IUPACcis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccccc2CN(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-23(2)14-17-7-5-4-6-16(17)13-22-21(24)20-12-19(20)15-8-10-18(25-3)11-9-15/h4-11,19-20H,12-14H2,1-3H3,(H,22,24)/t19-,20-/m0/s1
InChIKeyXVJQOHBCWQLKGL-PMACEKPBSA-N
MW338.45 g/mol
LogP3.18
Rot. Bonds7

About cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 95292258) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID95292258
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namecis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccccc2CN(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-23(2)14-17-7-5-4-6-16(17)13-22-21(24)20-12-19(20)15-8-10-18(25-3)11-9-15/h4-11,19-20H,12-14H2,1-3H3,(H,22,24)/t19-,20-/m0/s1
InChIKeyXVJQOHBCWQLKGL-PMACEKPBSA-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

trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95286253
N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292520
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 124795448
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 110610658
cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
CID 95303794
cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 95756886
trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95302740

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 95292258) is cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccccc2CN(C)C)cc1.
What is the InChIKey of cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is XVJQOHBCWQLKGL-PMACEKPBSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)14-17-7-5-4-6-16(17)13-22-21(24)20-12-19(20)15-8-10-18(25-3)11-9-15/h4-11,19-20H,12-14H2,1-3H3,(H,22,24)/t19-,20-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-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 cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95292258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).