methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate

C14H18N2O5 — CID 2103321

IUPACmethyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCNC(=O)NC(=O)[C@H](C)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H18N2O5/c1-4-15-14(19)16-12(17)9(2)21-11-7-5-10(6-8-11)13(18)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,19)/t9-/m0/s1
InChIKeyREXIMSOBWBVAFG-VIFPVBQESA-N
MW294.31 g/mol
LogP1.09
Rot. Bonds5

About methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate

methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 2103321) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID2103321
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
SMILESCCNC(=O)NC(=O)[C@H](C)Oc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H18N2O5/c1-4-15-14(19)16-12(17)9(2)21-11-7-5-10(6-8-11)13(18)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,19)/t9-/m0/s1
InChIKeyREXIMSOBWBVAFG-VIFPVBQESA-N
XLogP1.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 15978144
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585392
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 40619590

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate (CID 2103321) is methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate is CCNC(=O)NC(=O)[C@H](C)Oc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is REXIMSOBWBVAFG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O5/c1-4-15-14(19)16-12(17)9(2)21-11-7-5-10(6-8-11)13(18)20-3/h5-9H,4H2,1-3H3,(H2,15,16,17,19)/t9-/m0/s1.
What are the key properties of methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 294.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 2103321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).