tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate

C19H29N3O4 — CID 97255978

IUPACtert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate
SMILESCN1CCO[C@H](CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)21-15-7-5-6-14(10-15)11-17(23)20-12-16-13-22(4)8-9-25-16/h5-7,10,16H,8-9,11-13H2,1-4H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCVKBYVSGXUSAHG-MRXNPFEDSA-N
MW363.46 g/mol
LogP2.02
Rot. Bonds5

About tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate (PubChem CID 97255978) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate
PubChem CID97255978
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate
SMILESCN1CCO[C@H](CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)21-15-7-5-6-14(10-15)11-17(23)20-12-16-13-22(4)8-9-25-16/h5-7,10,16H,8-9,11-13H2,1-4H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCVKBYVSGXUSAHG-MRXNPFEDSA-N
XLogP2.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]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

N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 95271990
N-[3-[[(2R)-4-methylmorpholin-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 94816221
tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate
CID 71844322
tert-butyl N-[3-[2-[(2R)-oxiran-2-yl]ethyl]phenyl]carbamate
CID 91307335
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate (CID 97255978) is tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate is CN1CCO[C@H](CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)C1.
What is the InChIKey of tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is CVKBYVSGXUSAHG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)21-15-7-5-6-14(10-15)11-17(23)20-12-16-13-22(4)8-9-25-16/h5-7,10,16H,8-9,11-13H2,1-4H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 97255978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).