tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate

C17H26N2O4 — CID 104870570

IUPACtert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
SMILESCOc1cc(NC2CC(OC)C2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-14-7-6-11(10-15(14)22-5)18-12-8-13(9-12)21-4/h6-7,10,12-13,18H,8-9H2,1-5H3,(H,19,20)
InChIKeyARYIKDHUTGOSTL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.63
Rot. Bonds5

About tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate

tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate (PubChem CID 104870570) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
PubChem CID104870570
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
SMILESCOc1cc(NC2CC(OC)C2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-14-7-6-11(10-15(14)22-5)18-12-8-13(9-12)21-4/h6-7,10,12-13,18H,8-9H2,1-5H3,(H,19,20)
InChIKeyARYIKDHUTGOSTL-UHFFFAOYSA-N
XLogP3.63
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]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

tert-butyl N-[5-[(3-aminocyclobutyl)amino]-2-methoxyphenyl]carbamate
CID 107239640
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
CID 103776035
tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 94147646
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
CID 107240679
tert-butyl N-[2-methoxy-4-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107241079
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
N-[2-methoxy-4-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43672947
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate (CID 104870570) is tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate is COc1cc(NC2CC(OC)C2)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
The InChIKey is ARYIKDHUTGOSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-14-7-6-11(10-15(14)22-5)18-12-8-13(9-12)21-4/h6-7,10,12-13,18H,8-9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate?
tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate is sourced from PubChem (CID 104870570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).