methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate

C16H17NO3 — CID 163232995

IUPACmethyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)NC(C)C)cccc2c1
InChIInChI=1S/C16H17NO3/c1-10(2)17-15(18)14-6-4-5-11-9-12(16(19)20-3)7-8-13(11)14/h4-10H,1-3H3,(H,17,18)
InChIKeyFIPPUILJMKQRII-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.76
Rot. Bonds3

About methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate

methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate (PubChem CID 163232995) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
PubChem CID163232995
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(C(=O)NC(C)C)cccc2c1
InChIInChI=1S/C16H17NO3/c1-10(2)17-15(18)14-6-4-5-11-9-12(16(19)20-3)7-8-13(11)14/h4-10H,1-3H3,(H,17,18)
InChIKeyFIPPUILJMKQRII-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
CID 22895779
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
methyl 5-ethanimidoylnaphthalene-2-carboxylate;(E)-pent-2-ene-2-thiol
CID 176957637
diphenyl naphthalene-1,6-dicarboxylate
CID 66591582
methyl 6-sulfanyloxynaphthalene-1-carboxylate
CID 143499050
(E)-1-aminobut-1-ene-1-thiol;methyl 5-ethanimidoylnaphthalene-2-carboxylate
CID 176957825
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151

Frequently Asked Questions

What is the IUPAC name of methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate (CID 163232995) is methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate is COC(=O)c1ccc2c(C(=O)NC(C)C)cccc2c1.
What is the InChIKey of methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate?
The InChIKey is FIPPUILJMKQRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(2)17-15(18)14-6-4-5-11-9-12(16(19)20-3)7-8-13(11)14/h4-10H,1-3H3,(H,17,18).
What are the key properties of methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate?
methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate is sourced from PubChem (CID 163232995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).