methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate

C19H21NO4 — CID 141241672

IUPACmethyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1cccc2cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C19H21NO4/c1-19(2,3)24-18(22)20-15-9-10-16-13(8-11-17(21)23-4)6-5-7-14(16)12-15/h5-12H,1-4H3,(H,20,22)
InChIKeyYGFWFBNDFAHVSW-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.37
Rot. Bonds3

About methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate

methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate (PubChem CID 141241672) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate
PubChem CID141241672
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate
SMILESCOC(=O)C=Cc1cccc2cc(NC(=O)OC(C)(C)C)ccc12
InChIInChI=1S/C19H21NO4/c1-19(2,3)24-18(22)20-15-9-10-16-13(8-11-17(21)23-4)6-5-7-14(16)12-15/h5-12H,1-4H3,(H,20,22)
InChIKeyYGFWFBNDFAHVSW-UHFFFAOYSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate with MolForge

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Related Compounds

tert-butyl N-[5-(chloromethyl)naphthalen-2-yl]carbamate
CID 134433186
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
methyl 3-(6-phenylmethoxynaphthalen-1-yl)prop-2-enoate
CID 91160431
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-carboxylate
CID 172528833
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
methyl (E)-3-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]methyl]phenyl]prop-2-enoate
CID 139940086
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
CID 72524578
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylic acid
CID 142617172

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate?
The IUPAC name of methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate (CID 141241672) is methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate is COC(=O)C=Cc1cccc2cc(NC(=O)OC(C)(C)C)ccc12.
What is the InChIKey of methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate?
The InChIKey is YGFWFBNDFAHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(2,3)24-18(22)20-15-9-10-16-13(8-11-17(21)23-4)6-5-7-14(16)12-15/h5-12H,1-4H3,(H,20,22).
What are the key properties of methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate?
methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate has a molecular weight of 327.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate is sourced from PubChem (CID 141241672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).