N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide

C14H18N2O4 — CID 110687188

IUPACN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)C2CC2)cc1OC
InChIInChI=1S/C14H18N2O4/c1-19-11-6-5-10(7-12(11)20-2)16-13(17)8-15-14(18)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyHCPLUUYKWBIKNA-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 110687188) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID110687188
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)C2CC2)cc1OC
InChIInChI=1S/C14H18N2O4/c1-19-11-6-5-10(7-12(11)20-2)16-13(17)8-15-14(18)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyHCPLUUYKWBIKNA-UHFFFAOYSA-N
XLogP1.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
CID 38824177
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide (CID 110687188) is N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide is COc1ccc(NC(=O)CNC(=O)C2CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is HCPLUUYKWBIKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-11-6-5-10(7-12(11)20-2)16-13(17)8-15-14(18)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110687188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).