cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C18H28N2O3 — CID 124795448

IUPACcis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOCCN(C)CCCNC(=O)[C@H]1C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3/c1-20(11-12-22-2)10-4-9-19-18(21)17-13-16(17)14-5-7-15(23-3)8-6-14/h5-8,16-17H,4,9-13H2,1-3H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyPTNJPRULZNBIJT-IRXDYDNUSA-N
MW320.43 g/mol
LogP1.88
Rot. Bonds10

About cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 124795448) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID124795448
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namecis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOCCN(C)CCCNC(=O)[C@H]1C[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3/c1-20(11-12-22-2)10-4-9-19-18(21)17-13-16(17)14-5-7-15(23-3)8-6-14/h5-8,16-17H,4,9-13H2,1-3H3,(H,19,21)/t16-,17-/m0/s1
InChIKeyPTNJPRULZNBIJT-IRXDYDNUSA-N
XLogP1.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740
1-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42680230
cis-(1S,2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292520
cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292258
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopropane-1-carboxamide
CID 114995925
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410001
N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide
CID 84569140
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 124795448) is cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COCCN(C)CCCNC(=O)[C@H]1C[C@H]1c1ccc(OC)cc1.
What is the InChIKey of cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is PTNJPRULZNBIJT-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-20(11-12-22-2)10-4-9-19-18(21)17-13-16(17)14-5-7-15(23-3)8-6-14/h5-8,16-17H,4,9-13H2,1-3H3,(H,19,21)/t16-,17-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124795448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).