7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride

C19H32Cl3N3O2 — CID 119875126

IUPAC7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCC(c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H30ClN3O2.2ClH/c20-17-7-5-6-16(14-17)18(23-10-12-25-13-11-23)15-22-19(24)8-3-1-2-4-9-21;;/h5-7,14,18H,1-4,8-13,15,21H2,(H,22,24);2*1H
InChIKeyOMJHQTGBMVQVMZ-UHFFFAOYSA-N
MW440.84 g/mol
LogP3.58
Rot. Bonds10

About 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride

7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride (PubChem CID 119875126) has the molecular formula C19H32Cl3N3O2 and a molecular weight of 440.84 g/mol. Its IUPAC name is 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
PubChem CID119875126
Molecular FormulaC19H32Cl3N3O2
Molecular Weight440.84 g/mol
Exact Mass439.16
IUPAC Name7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCC(c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H30ClN3O2.2ClH/c20-17-7-5-6-16(14-17)18(23-10-12-25-13-11-23)15-22-19(24)8-3-1-2-4-9-21;;/h5-7,14,18H,1-4,8-13,15,21H2,(H,22,24);2*1H
InChIKeyOMJHQTGBMVQVMZ-UHFFFAOYSA-N
XLogP3.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.84
LogP ≤ 53.58
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-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86882802
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51334262
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119875168
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119875170
3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119875146
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride (CID 119875126) is 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)NCC(c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride?
The InChIKey is OMJHQTGBMVQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O2.2ClH/c20-17-7-5-6-16(14-17)18(23-10-12-25-13-11-23)15-22-19(24)8-3-1-2-4-9-21;;/h5-7,14,18H,1-4,8-13,15,21H2,(H,22,24);2*1H.
What are the key properties of 7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride?
7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride has a molecular weight of 440.84 g/mol, XLogP of 3.58, 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-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119875126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).