tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate

C19H29NO4 — CID 69097038

IUPACtert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
SMILESCCC(CC)C(=O)Cc1ccc(OC)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO4/c1-7-13(8-2)17(21)11-14-9-10-15(23-6)12-16(14)20-18(22)24-19(3,4)5/h9-10,12-13H,7-8,11H2,1-6H3,(H,20,22)
InChIKeyXNBOUJVZCBSCRA-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.59
Rot. Bonds7

About tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate

tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate (PubChem CID 69097038) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
PubChem CID69097038
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
SMILESCCC(CC)C(=O)Cc1ccc(OC)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO4/c1-7-13(8-2)17(21)11-14-9-10-15(23-6)12-16(14)20-18(22)24-19(3,4)5/h9-10,12-13H,7-8,11H2,1-6H3,(H,20,22)
InChIKeyXNBOUJVZCBSCRA-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[2-(3-ethylphenyl)-2-oxoethyl]-5-methoxyphenyl]carbamate
CID 69097032
tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
CID 107239747
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
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tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl N-[3-[(2-bromo-4-methoxyphenyl)methylamino]phenyl]carbamate
CID 112748949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate (CID 69097038) is tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate is CCC(CC)C(=O)Cc1ccc(OC)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate?
The InChIKey is XNBOUJVZCBSCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-7-13(8-2)17(21)11-14-9-10-15(23-6)12-16(14)20-18(22)24-19(3,4)5/h9-10,12-13H,7-8,11H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate?
tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate has a molecular weight of 335.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate is sourced from PubChem (CID 69097038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).