N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide

C16H30N2O3 — CID 122490408

IUPACN-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide
SMILESC=C(OCC)[C@H](CCN1CCOCC1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-6-21-13(2)14(17-15(19)16(3,4)5)7-8-18-9-11-20-12-10-18/h14H,2,6-12H2,1,3-5H3,(H,17,19)/t14-/m0/s1
InChIKeySGKKEPOMCVCTOW-AWEZNQCLSA-N
MW298.43 g/mol
LogP1.79
Rot. Bonds7

About N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide

N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide (PubChem CID 122490408) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide
PubChem CID122490408
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide
SMILESC=C(OCC)[C@H](CCN1CCOCC1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-6-21-13(2)14(17-15(19)16(3,4)5)7-8-18-9-11-20-12-10-18/h14H,2,6-12H2,1,3-5H3,(H,17,19)/t14-/m0/s1
InChIKeySGKKEPOMCVCTOW-AWEZNQCLSA-N
XLogP1.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide (CID 122490408) is N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide is C=C(OCC)[C@H](CCN1CCOCC1)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide?
The InChIKey is SGKKEPOMCVCTOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-21-13(2)14(17-15(19)16(3,4)5)7-8-18-9-11-20-12-10-18/h14H,2,6-12H2,1,3-5H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide?
N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 122490408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).