tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate

C22H26N2O4 — CID 134039996

IUPACtert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C22H26N2O4/c1-22(2,3)28-21(26)23-18-11-7-10-17(14-18)20(25)24-12-13-27-19(15-24)16-8-5-4-6-9-16/h4-11,14,19H,12-13,15H2,1-3H3,(H,23,26)
InChIKeyACUCOTFZSKJUFZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate

tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate (PubChem CID 134039996) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate
PubChem CID134039996
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nametert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C22H26N2O4/c1-22(2,3)28-21(26)23-18-11-7-10-17(14-18)20(25)24-12-13-27-19(15-24)16-8-5-4-6-9-16/h4-11,14,19H,12-13,15H2,1-3H3,(H,23,26)
InChIKeyACUCOTFZSKJUFZ-UHFFFAOYSA-N
XLogP4.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 24540087
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
tert-butyl (3aR,7aS)-5-[3-(methoxycarbonylamino)benzoyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate
CID 124882776
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
tert-butyl N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]carbamate
CID 60559054
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
CID 55948150
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate (CID 134039996) is tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCOC(c3ccccc3)C2)c1.
What is the InChIKey of tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate?
The InChIKey is ACUCOTFZSKJUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(2,3)28-21(26)23-18-11-7-10-17(14-18)20(25)24-12-13-27-19(15-24)16-8-5-4-6-9-16/h4-11,14,19H,12-13,15H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate?
tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate is sourced from PubChem (CID 134039996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).