tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane

C19H29NO4 — CID 143915168

IUPACtert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
SMILESCC.COc1ccc(NC(=O)OC(C)(C)C)c(CC(=O)C2CC2)c1
InChIInChI=1S/C17H23NO4.C2H6/c1-17(2,3)22-16(20)18-14-8-7-13(21-4)9-12(14)10-15(19)11-5-6-11;1-2/h7-9,11H,5-6,10H2,1-4H3,(H,18,20);1-2H3
InChIKeyULZSUSXKXFMXMM-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.59
Rot. Bonds5

About tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane

tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane (PubChem CID 143915168) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
PubChem CID143915168
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
SMILESCC.COc1ccc(NC(=O)OC(C)(C)C)c(CC(=O)C2CC2)c1
InChIInChI=1S/C17H23NO4.C2H6/c1-17(2,3)22-16(20)18-14-8-7-13(21-4)9-12(14)10-15(19)11-5-6-11;1-2/h7-9,11H,5-6,10H2,1-4H3,(H,18,20);1-2H3
InChIKeyULZSUSXKXFMXMM-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate
CID 67684710
tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
CID 107239747
tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
CID 107239688
tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
CID 107239722
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-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
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
CID 107239677
tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
CID 69097038

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane (CID 143915168) is tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane is CC.COc1ccc(NC(=O)OC(C)(C)C)c(CC(=O)C2CC2)c1.
What is the InChIKey of tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane?
The InChIKey is ULZSUSXKXFMXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4.C2H6/c1-17(2,3)22-16(20)18-14-8-7-13(21-4)9-12(14)10-15(19)11-5-6-11;1-2/h7-9,11H,5-6,10H2,1-4H3,(H,18,20);1-2H3.
What are the key properties of tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane?
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane has a molecular weight of 335.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane is sourced from PubChem (CID 143915168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).