N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C20H22N2O3 — CID 51132954

IUPACN-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(N(C)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-6-10-17(11-7-14)22(2)19(23)13-25-18-5-3-4-16(12-18)21-20(24)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,21,24)
InChIKeyBQBRCQPUDIADPW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.39
Rot. Bonds6

About N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 51132954) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID51132954
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(N(C)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-6-10-17(11-7-14)22(2)19(23)13-25-18-5-3-4-16(12-18)21-20(24)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,21,24)
InChIKeyBQBRCQPUDIADPW-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 60562038
N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46481265
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
[3-(cyclopropanecarbonylamino)phenyl] N-methyl-N-phenylcarbamate
CID 154154080
N-methyl-N-(4-methylphenyl)-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 118423929
N-[3-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55630643
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 51132954) is N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is Cc1ccc(N(C)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is BQBRCQPUDIADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-10-17(11-7-14)22(2)19(23)13-25-18-5-3-4-16(12-18)21-20(24)15-8-9-15/h3-7,10-12,15H,8-9,13H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 51132954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).