tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate

C19H29N3O5 — CID 94147646

IUPACtert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate
SMILESCOc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O5/c1-12-10-22(11-13(2)26-12)17(23)20-14-7-8-15(16(9-14)25-6)21-18(24)27-19(3,4)5/h7-9,12-13H,10-11H2,1-6H3,(H,20,23)(H,21,24)/t12-,13+
InChIKeyRQLWCRLGKGYBDZ-BETUJISGSA-N
MW379.46 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate

tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate (PubChem CID 94147646) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate
PubChem CID94147646
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate
SMILESCOc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O5/c1-12-10-22(11-13(2)26-12)17(23)20-14-7-8-15(16(9-14)25-6)21-18(24)27-19(3,4)5/h7-9,12-13H,10-11H2,1-6H3,(H,20,23)(H,21,24)/t12-,13+
InChIKeyRQLWCRLGKGYBDZ-BETUJISGSA-N
XLogP3.68
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]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-[4-[[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 95575147
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 7477454
tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870570
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
CID 103776035
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate (CID 94147646) is tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate is COc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate?
The InChIKey is RQLWCRLGKGYBDZ-BETUJISGSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-12-10-22(11-13(2)26-12)17(23)20-14-7-8-15(16(9-14)25-6)21-18(24)27-19(3,4)5/h7-9,12-13H,10-11H2,1-6H3,(H,20,23)(H,21,24)/t12-,13+.
What are the key properties of tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate?
tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 94147646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).