2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid

C15H22N2O4 — CID 81311152

IUPAC2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
SMILESCCOCC(C)NC(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-21-10-11(2)17-15(20)16-9-13-7-5-4-6-12(13)8-14(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyVRFVBWUZUPITES-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds8

About 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid

2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid (PubChem CID 81311152) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
PubChem CID81311152
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
SMILESCCOCC(C)NC(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-21-10-11(2)17-15(20)16-9-13-7-5-4-6-12(13)8-14(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyVRFVBWUZUPITES-UHFFFAOYSA-N
XLogP1.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 78916993
2-[2-[(2-ethoxyethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317508
2-[2-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 104829175
1-benzhydryl-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 35629147
2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81318367
(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 103998243
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
1-[(2-methylphenyl)methyl]-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 60595540
2-[2-[(2-methylbutylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317582
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173
2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid (CID 81311152) is 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid is CCOCC(C)NC(=O)NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid?
The InChIKey is VRFVBWUZUPITES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-10-11(2)17-15(20)16-9-13-7-5-4-6-12(13)8-14(18)19/h4-7,11H,3,8-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid?
2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 81311152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).