2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid

C15H22N2O4 — CID 65345731

IUPAC2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1cccc(CC(=O)O)c1)C(C)COC
InChIInChI=1S/C15H22N2O4/c1-4-17(11(2)10-21-3)15(20)16-13-7-5-6-12(8-13)9-14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyNSQRXNBJROVREZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.20
Rot. Bonds7

About 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid

2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 65345731) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid
PubChem CID65345731
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1cccc(CC(=O)O)c1)C(C)COC
InChIInChI=1S/C15H22N2O4/c1-4-17(11(2)10-21-3)15(20)16-13-7-5-6-12(8-13)9-14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyNSQRXNBJROVREZ-UHFFFAOYSA-N
XLogP2.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[[3-(methoxymethyl)phenyl]carbamoyl]amino]butanoic acid
CID 62827525
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
2-[3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 65349900
2-[3-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119351585
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
3-[[3-(dimethylamino)phenyl]carbamoyl-ethylamino]butanoic acid
CID 115378513
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid (CID 65345731) is 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid is CCN(C(=O)Nc1cccc(CC(=O)O)c1)C(C)COC.
What is the InChIKey of 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is NSQRXNBJROVREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(11(2)10-21-3)15(20)16-13-7-5-6-12(8-13)9-14(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid?
2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 65345731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).