tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate

C16H23N3O3 — CID 2692504

IUPACtert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)NN=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(20)18-17-12-13-4-6-14(7-5-13)19-8-10-21-11-9-19/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyAKXIKXQFMLSSKP-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate

tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate (PubChem CID 2692504) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
PubChem CID2692504
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nametert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)NN=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)22-15(20)18-17-12-13-4-6-14(7-5-13)19-8-10-21-11-9-19/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyAKXIKXQFMLSSKP-UHFFFAOYSA-N
XLogP2.38
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 3479357
ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate
CID 6910070
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
1-cyclohexyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]urea
CID 2467512
tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
CID 35014792
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
3,4,5-triethoxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 41082821
2-(2-methoxyphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 7965556
tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 164769747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate (CID 2692504) is tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate is CC(C)(C)OC(=O)NN=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate?
The InChIKey is AKXIKXQFMLSSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)22-15(20)18-17-12-13-4-6-14(7-5-13)19-8-10-21-11-9-19/h4-7,12H,8-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate?
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate has a molecular weight of 305.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 2692504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).