[(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate

C17H21N3O3 — CID 134111044

IUPAC[(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C1/CCCC=C1N1CCOCC1
InChIInChI=1S/C17H21N3O3/c21-17(18-14-6-2-1-3-7-14)23-19-15-8-4-5-9-16(15)20-10-12-22-13-11-20/h1-3,6-7,9H,4-5,8,10-13H2,(H,18,21)/b19-15-
InChIKeyRWPLNETUKFAWQL-CYVLTUHYSA-N
MW315.37 g/mol
LogP2.99
Rot. Bonds3

About [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate

[(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate (PubChem CID 134111044) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate
PubChem CID134111044
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C1/CCCC=C1N1CCOCC1
InChIInChI=1S/C17H21N3O3/c21-17(18-14-6-2-1-3-7-14)23-19-15-8-4-5-9-16(15)20-10-12-22-13-11-20/h1-3,6-7,9H,4-5,8,10-13H2,(H,18,21)/b19-15-
InChIKeyRWPLNETUKFAWQL-CYVLTUHYSA-N
XLogP2.99
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(2E)-2-morpholin-4-ylcyclodec-2-en-1-ylidene]hydroxylamine
CID 21417441
N-(2-morpholin-4-ylcyclonon-2-en-1-ylidene)hydroxylamine
CID 152749722
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
[(Z)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropylidene]amino] N-phenylcarbamate
CID 59167647
[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate
CID 42695273
5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353960
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate
CID 2813061
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate?
The IUPAC name of [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate (CID 134111044) is [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate.
What is the SMILES notation for [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate?
The canonical SMILES for [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate is O=C(Nc1ccccc1)O/N=C1/CCCC=C1N1CCOCC1.
What is the InChIKey of [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate?
The InChIKey is RWPLNETUKFAWQL-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(18-14-6-2-1-3-7-14)23-19-15-8-4-5-9-16(15)20-10-12-22-13-11-20/h1-3,6-7,9H,4-5,8,10-13H2,(H,18,21)/b19-15-.
What are the key properties of [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate?
[(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate has a molecular weight of 315.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate is sourced from PubChem (CID 134111044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).