2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

C19H30Cl2N4O2 — CID 120800919

IUPAC2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)CCn1ccc2ccc(NC(=O)C(N)C3CCOCC3)cc21.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-22(2)9-10-23-8-5-14-3-4-16(13-17(14)23)21-19(24)18(20)15-6-11-25-12-7-15;;/h3-5,8,13,15,18H,6-7,9-12,20H2,1-2H3,(H,21,24);2*1H
InChIKeyCTJYYJYXDUDOCA-UHFFFAOYSA-N
MW417.38 g/mol
LogP2.74
Rot. Bonds6

About 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120800919) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120800919
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)CCn1ccc2ccc(NC(=O)C(N)C3CCOCC3)cc21.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-22(2)9-10-23-8-5-14-3-4-16(13-17(14)23)21-19(24)18(20)15-6-11-25-12-7-15;;/h3-5,8,13,15,18H,6-7,9-12,20H2,1-2H3,(H,21,24);2*1H
InChIKeyCTJYYJYXDUDOCA-UHFFFAOYSA-N
XLogP2.74
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799357
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
CID 119891246
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]morpholine-3-carboxamide;dihydrochloride
CID 119891236
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-hydroxy-2-phenylacetamide
CID 111539900
1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
CID 119891229
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119891270
4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
CID 119891273
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
CID 120597119
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539901

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120800919) is 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is CN(C)CCn1ccc2ccc(NC(=O)C(N)C3CCOCC3)cc21.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is CTJYYJYXDUDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c1-22(2)9-10-23-8-5-14-3-4-16(13-17(14)23)21-19(24)18(20)15-6-11-25-12-7-15;;/h3-5,8,13,15,18H,6-7,9-12,20H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).