4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C18H24N2O5 — CID 120672572

IUPAC4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)COc1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O5/c1-20(2)16(21)11-25-15-5-3-4-14(10-15)19-17(22)12-6-8-13(9-7-12)18(23)24/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyBIMZFJGRECPCTQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.98
Rot. Bonds6

About 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672572) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672572
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)COc1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O5/c1-20(2)16(21)11-25-15-5-3-4-14(10-15)19-17(22)12-6-8-13(9-7-12)18(23)24/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyBIMZFJGRECPCTQ-UHFFFAOYSA-N
XLogP1.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 51132954
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46481265
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
(2S,5R)-5-(aminomethyl)-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 120786558
N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55632381
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
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672572) is 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CN(C)C(=O)COc1cccc(NC(=O)C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BIMZFJGRECPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-20(2)16(21)11-25-15-5-3-4-14(10-15)19-17(22)12-6-8-13(9-7-12)18(23)24/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).