N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride

C18H28Cl3N3O2 — CID 119875158

IUPACN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCC(c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H26ClN3O2.2ClH/c19-16-3-1-2-15(10-16)17(22-6-8-24-9-7-22)12-21-18(23)13-20-11-14-4-5-14;;/h1-3,10,14,17,20H,4-9,11-13H2,(H,21,23);2*1H
InChIKeyLNYPQHVHLXWFHK-UHFFFAOYSA-N
MW424.80 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride

N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride (PubChem CID 119875158) has the molecular formula C18H28Cl3N3O2 and a molecular weight of 424.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
PubChem CID119875158
Molecular FormulaC18H28Cl3N3O2
Molecular Weight424.80 g/mol
Exact Mass423.12
IUPAC NameN-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCC(c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H26ClN3O2.2ClH/c19-16-3-1-2-15(10-16)17(22-6-8-24-9-7-22)12-21-18(23)13-20-11-14-4-5-14;;/h1-3,10,14,17,20H,4-9,11-13H2,(H,21,23);2*1H
InChIKeyLNYPQHVHLXWFHK-UHFFFAOYSA-N
XLogP2.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.80
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119875126
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119875170
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119875146
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119849478
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
N-tert-butyl-2-[[N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111383021
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride (CID 119875158) is N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)NCC(c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
The InChIKey is LNYPQHVHLXWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.2ClH/c19-16-3-1-2-15(10-16)17(22-6-8-24-9-7-22)12-21-18(23)13-20-11-14-4-5-14;;/h1-3,10,14,17,20H,4-9,11-13H2,(H,21,23);2*1H.
What are the key properties of N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride?
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride has a molecular weight of 424.80 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119875158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).