cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C18H28N2O2 — CID 95292520

IUPACcis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,12-20(3)4)11-19-17(21)16-10-15(16)13-6-8-14(22-5)9-7-13/h6-9,15-16H,10-12H2,1-5H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyUBWMORZYRNHNCS-HOTGVXAUSA-N
MW304.43 g/mol
LogP2.50
Rot. Bonds7

About cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 95292520) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID95292520
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namecis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@@H]2C(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,12-20(3)4)11-19-17(21)16-10-15(16)13-6-8-14(22-5)9-7-13/h6-9,15-16H,10-12H2,1-5H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyUBWMORZYRNHNCS-HOTGVXAUSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292258
cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 124795448
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039
methyl 3-[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoate
CID 97010209
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
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 95292520) is cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@@H]2C(=O)NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is UBWMORZYRNHNCS-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,12-20(3)4)11-19-17(21)16-10-15(16)13-6-8-14(22-5)9-7-13/h6-9,15-16H,10-12H2,1-5H3,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.50, 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-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95292520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).