2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide

C15H25N3O2 — CID 70845444

IUPAC2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide
SMILESNC(CC1=CCCC=C1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H25N3O2/c16-14(12-13-4-2-1-3-5-13)15(19)17-6-7-18-8-10-20-11-9-18/h2,4-5,14H,1,3,6-12,16H2,(H,17,19)
InChIKeyAGEIFQWWEKBLGM-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.43
Rot. Bonds6

About 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide

2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 70845444) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID70845444
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide
SMILESNC(CC1=CCCC=C1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H25N3O2/c16-14(12-13-4-2-1-3-5-13)15(19)17-6-7-18-8-10-20-11-9-18/h2,4-5,14H,1,3,6-12,16H2,(H,17,19)
InChIKeyAGEIFQWWEKBLGM-UHFFFAOYSA-N
XLogP0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide (CID 70845444) is 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide is NC(CC1=CCCC=C1)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is AGEIFQWWEKBLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-14(12-13-4-2-1-3-5-13)15(19)17-6-7-18-8-10-20-11-9-18/h2,4-5,14H,1,3,6-12,16H2,(H,17,19).
What are the key properties of 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide?
2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexa-1,5-dien-1-yl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 70845444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).