2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide

C16H30N2O2 — CID 56720862

IUPAC2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide
SMILESC/C=C(\C)CN1CCOC(CCNC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-6-13(2)11-18-9-10-20-14(12-18)7-8-17-15(19)16(3,4)5/h6,14H,7-12H2,1-5H3,(H,17,19)/b13-6+
InChIKeyPDOVRENWEBCHBT-AWNIVKPZSA-N
MW282.43 g/mol
LogP2.21
Rot. Bonds5

About 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide (PubChem CID 56720862) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide
PubChem CID56720862
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide
SMILESC/C=C(\C)CN1CCOC(CCNC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-6-13(2)11-18-9-10-20-14(12-18)7-8-17-15(19)16(3,4)5/h6,14H,7-12H2,1-5H3,(H,17,19)/b13-6+
InChIKeyPDOVRENWEBCHBT-AWNIVKPZSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]ethyl]acetamide
CID 56702229
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
N-[2-[(2R)-4-(2-methylpropyl)morpholin-2-yl]ethyl]prop-1-en-2-amine
CID 155448674
N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-methylpropan-2-amine
CID 162424315
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
CID 56710225
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide
CID 95229780
2-[(2S)-4-ethylmorpholin-2-yl]-N-methylethanamine
CID 94133449
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
1-(2-ethylmorpholin-4-yl)-3-methylbutan-2-one
CID 79396089
tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
CID 79833522

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide (CID 56720862) is 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide is C/C=C(\C)CN1CCOC(CCNC(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide?
The InChIKey is PDOVRENWEBCHBT-AWNIVKPZSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-13(2)11-18-9-10-20-14(12-18)7-8-17-15(19)16(3,4)5/h6,14H,7-12H2,1-5H3,(H,17,19)/b13-6+.
What are the key properties of 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide is sourced from PubChem (CID 56720862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).