benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate

C24H29NO5 — CID 23298487

IUPACbenzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
SMILESCC(C)(C)OC(=O)NC1CCc2cc(OCC(=O)OCc3ccccc3)ccc2C1
InChIInChI=1S/C24H29NO5/c1-24(2,3)30-23(27)25-20-11-9-19-14-21(12-10-18(19)13-20)28-16-22(26)29-15-17-7-5-4-6-8-17/h4-8,10,12,14,20H,9,11,13,15-16H2,1-3H3,(H,25,27)
InChIKeyGPZFYXZFKXXVSI-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.19
Rot. Bonds6

About benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate

benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate (PubChem CID 23298487) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate.

Molecular Properties

Compound Namebenzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
PubChem CID23298487
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Namebenzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
SMILESCC(C)(C)OC(=O)NC1CCc2cc(OCC(=O)OCc3ccccc3)ccc2C1
InChIInChI=1S/C24H29NO5/c1-24(2,3)30-23(27)25-20-11-9-19-14-21(12-10-18(19)13-20)28-16-22(26)29-15-17-7-5-4-6-8-17/h4-8,10,12,14,20H,9,11,13,15-16H2,1-3H3,(H,25,27)
InChIKeyGPZFYXZFKXXVSI-UHFFFAOYSA-N
XLogP4.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
ethyl 2-[[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 11494280
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
CID 169122682
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
ethyl 2-[[(7S)-7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 54442037
tert-butyl N-[6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 57234940
benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737
tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 59486441
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
ethyl 2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate;ethyl 2-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
CID 129285095

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
The IUPAC name of benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate (CID 23298487) is benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate.
What is the SMILES notation for benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
The canonical SMILES for benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate is CC(C)(C)OC(=O)NC1CCc2cc(OCC(=O)OCc3ccccc3)ccc2C1.
What is the InChIKey of benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
The InChIKey is GPZFYXZFKXXVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-24(2,3)30-23(27)25-20-11-9-19-14-21(12-10-18(19)13-20)28-16-22(26)29-15-17-7-5-4-6-8-17/h4-8,10,12,14,20H,9,11,13,15-16H2,1-3H3,(H,25,27).
What are the key properties of benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate has a molecular weight of 411.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate is sourced from PubChem (CID 23298487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).