trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide

C16H19NO3 — CID 97328657

IUPACtrans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1
InChIInChI=1S/C16H19NO3/c1-20-12-6-4-11(5-7-12)15(18)9-17-16(19)14-8-13(14)10-2-3-10/h4-7,10,13-14H,2-3,8-9H2,1H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyBYMZVORQXNQPDE-ZIAGYGMSSA-N
MW273.33 g/mol
LogP2.04
Rot. Bonds6

About trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 97328657) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID97328657
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nametrans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1
InChIInChI=1S/C16H19NO3/c1-20-12-6-4-11(5-7-12)15(18)9-17-16(19)14-8-13(14)10-2-3-10/h4-7,10,13-14H,2-3,8-9H2,1H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyBYMZVORQXNQPDE-ZIAGYGMSSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 135228535
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 108805796
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
2,2,3,3,3-pentafluoro-N-[2-(4-methoxyphenyl)-2-oxoethyl]propanamide
CID 584711
(1R,2S,3S,5S)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 16747876
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 108798758
1-(2-cyclopentylcyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 154842260
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42680496

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide (CID 97328657) is trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide is COc1ccc(C(=O)CNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1.
What is the InChIKey of trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is BYMZVORQXNQPDE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-12-6-4-11(5-7-12)15(18)9-17-16(19)14-8-13(14)10-2-3-10/h4-7,10,13-14H,2-3,8-9H2,1H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97328657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).