4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid

C14H20N2O4 — CID 102699691

IUPAC4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid
SMILESCOC(C)CNC(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-10(20-2)9-16-14(19)15-8-7-11-3-5-12(6-4-11)13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMFWYAHMDNZCOGF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.26
Rot. Bonds7

About 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid

4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid (PubChem CID 102699691) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid
PubChem CID102699691
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid
SMILESCOC(C)CNC(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-10(20-2)9-16-14(19)15-8-7-11-3-5-12(6-4-11)13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMFWYAHMDNZCOGF-UHFFFAOYSA-N
XLogP1.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,2-difluoroethylcarbamoylamino)ethyl]benzoic acid
CID 113303891
4-(3-methoxybutyl)benzoic acid
CID 117111500
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
3-(2-methoxypropylcarbamoylamino)-4-methylbenzoic acid
CID 102699684
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
4-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]benzoic acid
CID 63227545
4-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 62837304
4-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 61160853
4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108891353
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 106109788
4-[2-(4-propan-2-yloxybutanoylamino)ethyl]benzoic acid
CID 120684378

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid?
The IUPAC name of 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid (CID 102699691) is 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid is COC(C)CNC(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid?
The InChIKey is MFWYAHMDNZCOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(20-2)9-16-14(19)15-8-7-11-3-5-12(6-4-11)13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid?
4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid is sourced from PubChem (CID 102699691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).