tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane

C20H33ClN2O3 — CID 143612680

IUPACtert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
SMILESCC.Cc1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1Cl
InChIInChI=1S/C18H27ClN2O3.C2H6/c1-13-5-6-14(9-16(13)19)11-21-7-8-23-15(12-21)10-20-17(22)24-18(2,3)4;1-2/h5-6,9,15H,7-8,10-12H2,1-4H3,(H,20,22);1-2H3/t15-;/m0./s1
InChIKeyNHJXLQZJRQFEFI-RSAXXLAASA-N
MW384.95 g/mol
LogP4.40
Rot. Bonds4

About tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane

tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane (PubChem CID 143612680) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
PubChem CID143612680
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC Nametert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
SMILESCC.Cc1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1Cl
InChIInChI=1S/C18H27ClN2O3.C2H6/c1-13-5-6-14(9-16(13)19)11-21-7-8-23-15(12-21)10-20-17(22)24-18(2,3)4;1-2/h5-6,9,15H,7-8,10-12H2,1-4H3,(H,20,22);1-2H3/t15-;/m0./s1
InChIKeyNHJXLQZJRQFEFI-RSAXXLAASA-N
XLogP4.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 143491953
tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 159216706
(4-nitrophenyl) N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 11775024
1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-prop-2-enylurea
CID 10109024
tert-butyl N-[[4-[2-(3-chloro-6-methoxyquinolin-4-yl)-2-hydroxyethyl]morpholin-2-yl]methyl]carbamate
CID 69441975
1-cyclohexyl-3-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10272298
2-(4-aminophenyl)sulfanyl-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 67168644
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylacetamide
CID 67169609
4-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-ethylpiperidine-1-carboxamide
CID 10174267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane (CID 143612680) is tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane is CC.Cc1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1Cl.
What is the InChIKey of tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane?
The InChIKey is NHJXLQZJRQFEFI-RSAXXLAASA-N. The full InChI is InChI=1S/C18H27ClN2O3.C2H6/c1-13-5-6-14(9-16(13)19)11-21-7-8-23-15(12-21)10-20-17(22)24-18(2,3)4;1-2/h5-6,9,15H,7-8,10-12H2,1-4H3,(H,20,22);1-2H3/t15-;/m0./s1.
What are the key properties of tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane?
tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane has a molecular weight of 384.95 g/mol, XLogP of 4.40, 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-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane is sourced from PubChem (CID 143612680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).