tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate

C18H25NO5 — CID 66671985

IUPACtert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate
SMILESCOc1cc(C(C)=O)ccc1OCC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25NO5/c1-12(20)13-6-7-14(15(10-13)22-5)23-11-18(8-9-18)19-16(21)24-17(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,19,21)
InChIKeyQGKJNNYJHBEIQQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.33
Rot. Bonds6

About tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate

tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate (PubChem CID 66671985) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate
PubChem CID66671985
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nametert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate
SMILESCOc1cc(C(C)=O)ccc1OCC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25NO5/c1-12(20)13-6-7-14(15(10-13)22-5)23-11-18(8-9-18)19-16(21)24-17(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,19,21)
InChIKeyQGKJNNYJHBEIQQ-UHFFFAOYSA-N
XLogP3.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate 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

1-[4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-methoxyphenyl]ethanone
CID 65008577
methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate
CID 170564432
tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
CID 156861889
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
tert-butyl N-[5-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-2-methoxyphenyl]carbamate
CID 55654571
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate (CID 66671985) is tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate is COc1cc(C(C)=O)ccc1OCC1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate?
The InChIKey is QGKJNNYJHBEIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(20)13-6-7-14(15(10-13)22-5)23-11-18(8-9-18)19-16(21)24-17(2,3)4/h6-7,10H,8-9,11H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate?
tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate has a molecular weight of 335.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate is sourced from PubChem (CID 66671985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).