[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate

C22H22N2O4 — CID 8985377

IUPAC[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCN(C(=O)COC(=O)Cc1noc2ccccc12)[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H22N2O4/c1-24(19-11-6-8-15-7-2-3-9-16(15)19)21(25)14-27-22(26)13-18-17-10-4-5-12-20(17)28-23-18/h2-5,7,9-10,12,19H,6,8,11,13-14H2,1H3/t19-/m0/s1
InChIKeyYGESIJFWTCZVKU-IBGZPJMESA-N
MW378.43 g/mol
LogP3.45
Rot. Bonds5

About [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate

[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate (PubChem CID 8985377) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
PubChem CID8985377
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
SMILESCN(C(=O)COC(=O)Cc1noc2ccccc12)[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H22N2O4/c1-24(19-11-6-8-15-7-2-3-9-16(15)19)21(25)14-27-22(26)13-18-17-10-4-5-12-20(17)28-23-18/h2-5,7,9-10,12,19H,6,8,11,13-14H2,1H3/t19-/m0/s1
InChIKeyYGESIJFWTCZVKU-IBGZPJMESA-N
XLogP3.45
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55811718
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551310
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55364946
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 9485133
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 9457603
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55366782
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984768
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927498
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 55366794
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8624932
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 55366721

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The IUPAC name of [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate (CID 8985377) is [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate is CN(C(=O)COC(=O)Cc1noc2ccccc12)[C@H]1CCCc2ccccc21.
What is the InChIKey of [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
The InChIKey is YGESIJFWTCZVKU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O4/c1-24(19-11-6-8-15-7-2-3-9-16(15)19)21(25)14-27-22(26)13-18-17-10-4-5-12-20(17)28-23-18/h2-5,7,9-10,12,19H,6,8,11,13-14H2,1H3/t19-/m0/s1.
What are the key properties of [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate?
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate has a molecular weight of 378.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 8985377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).