tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate

C19H29NO4 — CID 67684676

IUPACtert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(CC(O)C2CCCC2)c1
InChIInChI=1S/C19H29NO4/c1-19(2,3)24-18(22)20-16-10-9-15(23-4)11-14(16)12-17(21)13-7-5-6-8-13/h9-11,13,17,21H,5-8,12H2,1-4H3,(H,20,22)
InChIKeyYHHVVGWGXFWPBD-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.14
Rot. Bonds5

About tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate

tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate (PubChem CID 67684676) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
PubChem CID67684676
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(CC(O)C2CCCC2)c1
InChIInChI=1S/C19H29NO4/c1-19(2,3)24-18(22)20-16-10-9-15(23-4)11-14(16)12-17(21)13-7-5-6-8-13/h9-11,13,17,21H,5-8,12H2,1-4H3,(H,20,22)
InChIKeyYHHVVGWGXFWPBD-UHFFFAOYSA-N
XLogP4.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
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tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
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tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
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tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239711
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-[4-methoxy-2-[(1-methylpyrrolidin-3-yl)amino]phenyl]carbamate
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tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
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tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate
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tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate (CID 67684676) is tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)c(CC(O)C2CCCC2)c1.
What is the InChIKey of tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate?
The InChIKey is YHHVVGWGXFWPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-19(2,3)24-18(22)20-16-10-9-15(23-4)11-14(16)12-17(21)13-7-5-6-8-13/h9-11,13,17,21H,5-8,12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate?
tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate has a molecular weight of 335.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate is sourced from PubChem (CID 67684676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).