tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate

C19H30N2O3 — CID 143491953

IUPACtert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
SMILESCc1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C
InChIInChI=1S/C19H30N2O3/c1-14-6-7-16(10-15(14)2)12-21-8-9-23-17(13-21)11-20-18(22)24-19(3,4)5/h6-7,10,17H,8-9,11-13H2,1-5H3,(H,20,22)/t17-/m0/s1
InChIKeyGRWYMXRWVVPJIF-KRWDZBQOSA-N
MW334.46 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate

tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate (PubChem CID 143491953) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
PubChem CID143491953
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
SMILESCc1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C
InChIInChI=1S/C19H30N2O3/c1-14-6-7-16(10-15(14)2)12-21-8-9-23-17(13-21)11-20-18(22)24-19(3,4)5/h6-7,10,17H,8-9,11-13H2,1-5H3,(H,20,22)/t17-/m0/s1
InChIKeyGRWYMXRWVVPJIF-KRWDZBQOSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
CID 143612680
tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 159216706
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
(4-nitrophenyl) N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 11775024
tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate
CID 71844322
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
CID 126777380
4-[2-[[(2S)-4-[(4-chloro-3-methylphenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]cyclopenta-1,4-diene-1-carboxylic acid
CID 142811315

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate (CID 143491953) is tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate is Cc1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C.
What is the InChIKey of tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate?
The InChIKey is GRWYMXRWVVPJIF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-6-7-16(10-15(14)2)12-21-8-9-23-17(13-21)11-20-18(22)24-19(3,4)5/h6-7,10,17H,8-9,11-13H2,1-5H3,(H,20,22)/t17-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 143491953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).