tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate

C17H26N2O3 — CID 139523201

IUPACtert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
SMILESCC1CN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CCO1
InChIInChI=1S/C17H26N2O3/c1-13-12-19(9-10-21-13)15-7-5-14(6-8-15)11-18-16(20)22-17(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyBQFBVDNAOPHHDW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate (PubChem CID 139523201) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
PubChem CID139523201
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
SMILESCC1CN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CCO1
InChIInChI=1S/C17H26N2O3/c1-13-12-19(9-10-21-13)15-7-5-14(6-8-15)11-18-16(20)22-17(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyBQFBVDNAOPHHDW-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
tert-butyl N-[[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate
CID 24516703
tert-butyl N-[2-[[N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883570
ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate
CID 121443369
tert-butyl N-[[4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamoyl]phenyl]methyl]carbamate
CID 166200909
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
2-methoxy-N-[[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 63071711
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
tert-butyl N-[3-oxo-3-[(4-thiomorpholin-4-ylphenyl)methylamino]propyl]carbamate
CID 47059291
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate (CID 139523201) is tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate is CC1CN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CCO1.
What is the InChIKey of tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate?
The InChIKey is BQFBVDNAOPHHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-12-19(9-10-21-13)15-7-5-14(6-8-15)11-18-16(20)22-17(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 139523201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).