7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride

C19H33Cl2N3O2 — CID 119835989

IUPAC7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H31N3O2.2ClH/c20-11-7-2-1-6-10-19(23)21-18(17-8-4-3-5-9-17)16-22-12-14-24-15-13-22;;/h3-5,8-9,18H,1-2,6-7,10-16,20H2,(H,21,23);2*1H
InChIKeyXHMKEYAVZFJKHI-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.93
Rot. Bonds10

About 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride

7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride (PubChem CID 119835989) has the molecular formula C19H33Cl2N3O2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
PubChem CID119835989
Molecular FormulaC19H33Cl2N3O2
Molecular Weight406.40 g/mol
Exact Mass405.19
IUPAC Name7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H31N3O2.2ClH/c20-11-7-2-1-6-10-19(23)21-18(17-8-4-3-5-9-17)16-22-12-14-24-15-13-22;;/h3-5,8-9,18H,1-2,6-7,10-16,20H2,(H,21,23);2*1H
InChIKeyXHMKEYAVZFJKHI-UHFFFAOYSA-N
XLogP2.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.93
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

7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
CID 120612134
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
N-[(1R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
CID 11957677
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide;hydrochloride
CID 133124946
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride (CID 119835989) is 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)NC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride?
The InChIKey is XHMKEYAVZFJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.2ClH/c20-11-7-2-1-6-10-19(23)21-18(17-8-4-3-5-9-17)16-22-12-14-24-15-13-22;;/h3-5,8-9,18H,1-2,6-7,10-16,20H2,(H,21,23);2*1H.
What are the key properties of 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride?
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride has a molecular weight of 406.40 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride is sourced from PubChem (CID 119835989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).