methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate

C17H21NO4 — CID 154684196

IUPACmethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)C1=Cc2cccc(NC(=O)OC(C)(C)C)c2CC1
InChIInChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18-14-7-5-6-11-10-12(15(19)21-4)8-9-13(11)14/h5-7,10H,8-9H2,1-4H3,(H,18,20)
InChIKeyNMXBVVRXZVYVGW-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.54
Rot. Bonds2

About methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 154684196) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate
PubChem CID154684196
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)C1=Cc2cccc(NC(=O)OC(C)(C)C)c2CC1
InChIInChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18-14-7-5-6-11-10-12(15(19)21-4)8-9-13(11)14/h5-7,10H,8-9H2,1-4H3,(H,18,20)
InChIKeyNMXBVVRXZVYVGW-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate 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

tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl 3,4,5,6-tetrahydrochrysene-2-carboxylate
CID 175318145
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 75481413
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate (CID 154684196) is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate is COC(=O)C1=Cc2cccc(NC(=O)OC(C)(C)C)c2CC1.
What is the InChIKey of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is NMXBVVRXZVYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18-14-7-5-6-11-10-12(15(19)21-4)8-9-13(11)14/h5-7,10H,8-9H2,1-4H3,(H,18,20).
What are the key properties of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate?
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 154684196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).