N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide

C17H27N3O2 — CID 109016771

IUPACN-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCCc1ccccc1NC(=O)CCNCCN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-2-15-5-3-4-6-16(15)19-17(21)7-8-18-9-10-20-11-13-22-14-12-20/h3-6,18H,2,7-14H2,1H3,(H,19,21)
InChIKeyIGSSUDRXUSGPFU-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.50
Rot. Bonds8

About N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide

N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016771) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016771
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCCc1ccccc1NC(=O)CCNCCN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-2-15-5-3-4-6-16(15)19-17(21)7-8-18-9-10-20-11-13-22-14-12-20/h3-6,18H,2,7-14H2,1H3,(H,19,21)
InChIKeyIGSSUDRXUSGPFU-UHFFFAOYSA-N
XLogP1.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016834
N-(2-ethylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024292
N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016821
3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-ethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229652
N-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024840
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016771) is N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide is CCc1ccccc1NC(=O)CCNCCN1CCOCC1.
What is the InChIKey of N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is IGSSUDRXUSGPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-15-5-3-4-6-16(15)19-17(21)7-8-18-9-10-20-11-13-22-14-12-20/h3-6,18H,2,7-14H2,1H3,(H,19,21).
What are the key properties of N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).