5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide

C19H31N3O2 — CID 70845942

IUPAC5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide
SMILESCc1ccc(CN(C)CCN(C)C)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-15-5-6-16(14-22(4)10-9-21(2)3)13-18(15)19(23)20-17-7-11-24-12-8-17/h5-6,13,17H,7-12,14H2,1-4H3,(H,20,23)
InChIKeyHYSBIMJSEWVVPK-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.90
Rot. Bonds7

About 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide

5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide (PubChem CID 70845942) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide
PubChem CID70845942
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide
SMILESCc1ccc(CN(C)CCN(C)C)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-15-5-6-16(14-22(4)10-9-21(2)3)13-18(15)19(23)20-17-7-11-24-12-8-17/h5-6,13,17H,7-12,14H2,1-4H3,(H,20,23)
InChIKeyHYSBIMJSEWVVPK-UHFFFAOYSA-N
XLogP1.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
VU 0357017 Hydrochloride
CID 25010775
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
N-ethyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216680
N-methyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216683
Sdccggsk-0000288.P001
CID 44578255
(3R)-3-N-[(2R)-1-cyclohexyl-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxamide
CID 134355432
3,4-Dimethyl-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 1105927
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
Ethyl 4-(2-(2-methylbenzamido)ethylamino)piperidine-1-carboxylate
CID 25010776
[3H]Gsk931145
CID 73755091

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide (CID 70845942) is 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide is Cc1ccc(CN(C)CCN(C)C)cc1C(=O)NC1CCOCC1.
What is the InChIKey of 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is HYSBIMJSEWVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15-5-6-16(14-22(4)10-9-21(2)3)13-18(15)19(23)20-17-7-11-24-12-8-17/h5-6,13,17H,7-12,14H2,1-4H3,(H,20,23).
What are the key properties of 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide?
5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 333.48 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 70845942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).