[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate

C23H26N2O4 — CID 18266985

IUPAC[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OC(C)C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C23H26N2O4/c1-15-10-12-18(13-11-15)23(28)24-14-21(26)29-16(2)22(27)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-13,16,20H,5,7,9,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeySHYOOIPAECWUSK-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.85
Rot. Bonds6

About [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate

[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 18266985) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate
PubChem CID18266985
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OC(C)C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C23H26N2O4/c1-15-10-12-18(13-11-15)23(28)24-14-21(26)29-16(2)22(27)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-13,16,20H,5,7,9,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeySHYOOIPAECWUSK-UHFFFAOYSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate (CID 18266985) is [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OC(C)C(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is SHYOOIPAECWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-10-12-18(13-11-15)23(28)24-14-21(26)29-16(2)22(27)25-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-13,16,20H,5,7,9,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate?
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 394.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 18266985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).