N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide

C16H27N3O2 — CID 89120844

IUPACN-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide
SMILESC=C(C)/C=C(\C=C(\C)N)CN(CC)C(=O)N1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-5-18(16(20)19-6-8-21-9-7-19)12-15(10-13(2)3)11-14(4)17/h10-11H,2,5-9,12,17H2,1,3-4H3/b14-11-,15-10+
InChIKeyLZDMIUZEAKBMGI-YYYYSQCPSA-N
MW293.41 g/mol
LogP2.13
Rot. Bonds5

About N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide

N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide (PubChem CID 89120844) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide
PubChem CID89120844
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide
SMILESC=C(C)/C=C(\C=C(\C)N)CN(CC)C(=O)N1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-5-18(16(20)19-6-8-21-9-7-19)12-15(10-13(2)3)11-14(4)17/h10-11H,2,5-9,12,17H2,1,3-4H3/b14-11-,15-10+
InChIKeyLZDMIUZEAKBMGI-YYYYSQCPSA-N
XLogP2.13
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide?
The IUPAC name of N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide (CID 89120844) is N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide is C=C(C)/C=C(\C=C(\C)N)CN(CC)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide?
The InChIKey is LZDMIUZEAKBMGI-YYYYSQCPSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-18(16(20)19-6-8-21-9-7-19)12-15(10-13(2)3)11-14(4)17/h10-11H,2,5-9,12,17H2,1,3-4H3/b14-11-,15-10+.
What are the key properties of N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide?
N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[(Z)-2-aminoprop-1-enyl]-4-methylpenta-2,4-dienyl]-N-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 89120844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).