tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate

C19H24N2O3 — CID 150294769

IUPACtert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate
SMILESCC(C)NC(=O)c1ccc2cccc(NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H24N2O3/c1-12(2)20-17(22)14-10-9-13-7-6-8-16(15(13)11-14)21-18(23)24-19(3,4)5/h6-12H,1-5H3,(H,20,22)(H,21,23)
InChIKeyGIIURWZNJIJVIP-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.32
Rot. Bonds3

About tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate

tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate (PubChem CID 150294769) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate
PubChem CID150294769
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate
SMILESCC(C)NC(=O)c1ccc2cccc(NC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H24N2O3/c1-12(2)20-17(22)14-10-9-13-7-6-8-16(15(13)11-14)21-18(23)24-19(3,4)5/h6-12H,1-5H3,(H,20,22)(H,21,23)
InChIKeyGIIURWZNJIJVIP-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
CID 141432303
tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate
CID 118899189
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
tert-butyl N-(1-benzothiophen-4-yl)carbamate
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tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl 2-[2-amino-5-[8-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-2-yl]oxyanilino]acetate
CID 91108048
tert-butyl N-[(2S)-1-[[1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 11592592
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[3-(bromomethyl)naphthalen-2-yl]carbamate
CID 122220716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate (CID 150294769) is tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate is CC(C)NC(=O)c1ccc2cccc(NC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate?
The InChIKey is GIIURWZNJIJVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)20-17(22)14-10-9-13-7-6-8-16(15(13)11-14)21-18(23)24-19(3,4)5/h6-12H,1-5H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate?
tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate is sourced from PubChem (CID 150294769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).