N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

C20H23NO3 — CID 123567569

IUPACN-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOCC(NC(=O)C1CC1c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO3/c1-23-13-19(15-8-10-16(24-2)11-9-15)21-20(22)18-12-17(18)14-6-4-3-5-7-14/h3-11,17-19H,12-13H2,1-2H3,(H,21,22)
InChIKeyBUDVXQOQYPDBNR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.30
Rot. Bonds7

About N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 123567569) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID123567569
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOCC(NC(=O)C1CC1c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO3/c1-23-13-19(15-8-10-16(24-2)11-9-15)21-20(22)18-12-17(18)14-6-4-3-5-7-14/h3-11,17-19H,12-13H2,1-2H3,(H,21,22)
InChIKeyBUDVXQOQYPDBNR-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[(1R)-1-(6-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[(1R)-1-(6-ethoxy-3-pyridinyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 161089526
trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 135320702
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129469534
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide
CID 106244224
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
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
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
cis-(1S,2R)-2-[bis(4-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154200

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 123567569) is N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is COCC(NC(=O)C1CC1c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BUDVXQOQYPDBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-13-19(15-8-10-16(24-2)11-9-15)21-20(22)18-12-17(18)14-6-4-3-5-7-14/h3-11,17-19H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 123567569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).