methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate

C16H21ClN2O4 — CID 59515501

IUPACmethyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESCOC(=O)N(C[C@@H](C)CCl)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H21ClN2O4/c1-12(9-17)10-19(16(21)22-2)14-5-3-13(4-6-14)18-7-8-23-11-15(18)20/h3-6,12H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyFQGDOVIGDDDVHK-LBPRGKRZSA-N
MW340.81 g/mol
LogP2.50
Rot. Bonds5

About methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate

methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate (PubChem CID 59515501) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
PubChem CID59515501
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Namemethyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESCOC(=O)N(C[C@@H](C)CCl)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H21ClN2O4/c1-12(9-17)10-19(16(21)22-2)14-5-3-13(4-6-14)18-7-8-23-11-15(18)20/h3-6,12H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyFQGDOVIGDDDVHK-LBPRGKRZSA-N
XLogP2.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide
CID 118233764
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
[(2S)-1-chloro-3-[(5-chlorothiophene-2-carbonyl)amino]propan-2-yl]-[4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
CID 118060763
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869078
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The IUPAC name of methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate (CID 59515501) is methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate is COC(=O)N(C[C@@H](C)CCl)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The InChIKey is FQGDOVIGDDDVHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-12(9-17)10-19(16(21)22-2)14-5-3-13(4-6-14)18-7-8-23-11-15(18)20/h3-6,12H,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate has a molecular weight of 340.81 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate is sourced from PubChem (CID 59515501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).