2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

C16H20N2O5 — CID 119187254

IUPAC2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)COc1cccc(CNC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C16H20N2O5/c1-2-17-14(19)9-23-11-5-3-4-10(6-11)8-18-15(20)12-7-13(12)16(21)22/h3-6,12-13H,2,7-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyBRPFXDGSCCCDMJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.54
Rot. Bonds8

About 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119187254) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119187254
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)COc1cccc(CNC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C16H20N2O5/c1-2-17-14(19)9-23-11-5-3-4-10(6-11)8-18-15(20)12-7-13(12)16(21)22/h3-6,12-13H,2,7-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyBRPFXDGSCCCDMJ-UHFFFAOYSA-N
XLogP0.54
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
CID 138994417
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
2-[3-[[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N-ethylacetamide
CID 111356936
N-ethyl-2-[3-[[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111876927

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119187254) is 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is CCNC(=O)COc1cccc(CNC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is BRPFXDGSCCCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-2-17-14(19)9-23-11-5-3-4-10(6-11)8-18-15(20)12-7-13(12)16(21)22/h3-6,12-13H,2,7-9H2,1H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119187254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).