2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone

C14H22N2O2 — CID 19164016

IUPAC2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone
SMILESCC1C=CC(CNCC(=O)N2CCOCC2)=CC1
InChIInChI=1S/C14H22N2O2/c1-12-2-4-13(5-3-12)10-15-11-14(17)16-6-8-18-9-7-16/h2,4-5,12,15H,3,6-11H2,1H3
InChIKeyGBOPYESACQFLKU-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.96
Rot. Bonds4

About 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone

2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone (PubChem CID 19164016) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone
PubChem CID19164016
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone
SMILESCC1C=CC(CNCC(=O)N2CCOCC2)=CC1
InChIInChI=1S/C14H22N2O2/c1-12-2-4-13(5-3-12)10-15-11-14(17)16-6-8-18-9-7-16/h2,4-5,12,15H,3,6-11H2,1H3
InChIKeyGBOPYESACQFLKU-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-{2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50952420
N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 67961870
(1S)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexa-2,4-diene-1-carboxamide
CID 68092288
(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 71170886
(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
CID 88899306
N-(4-methylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylacetamide
CID 90875722
(E)-N-(2-morpholin-4-yl-2-oxoethyl)-2-propan-2-ylbut-2-enamide
CID 117639844
(2Z)-2-(6-aminocyclohexa-2,4-dien-1-ylidene)-2-(methylamino)-1-[(3S)-3-methylmorpholin-4-yl]ethanone
CID 130180219
2-[(1-morpholin-4-yl-4aH-benzo[7]annulen-2-yl)amino]acetamide
CID 143455262
1-(2-morpholin-4-yl-2-oxoethyl)-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium
CID 168176518
molecular hydrogen;N-[[2-(morpholin-4-ylmethyl)cyclohexa-1,5-dien-1-yl]methyl]propanamide
CID 176934204
2-(Cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone
CID 19163989

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone (CID 19164016) is 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone is CC1C=CC(CNCC(=O)N2CCOCC2)=CC1.
What is the InChIKey of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone?
The InChIKey is GBOPYESACQFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-2-4-13(5-3-12)10-15-11-14(17)16-6-8-18-9-7-16/h2,4-5,12,15H,3,6-11H2,1H3.
What are the key properties of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone?
2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone has a molecular weight of 250.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexa-1,5-dien-1-yl)methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 19164016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).