N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride

C19H30ClN3O3 — CID 119682380

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-3-10-22(19(24)13-20-12-16-8-6-11-25-16)14-18(23)21-17-9-5-4-7-15(17)2;/h4-5,7,9,16,20H,3,6,8,10-14H2,1-2H3,(H,21,23);1H
InChIKeyTWMYNYLUIXTOFA-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.36
Rot. Bonds9

About N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride

N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride (PubChem CID 119682380) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride
PubChem CID119682380
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-3-10-22(19(24)13-20-12-16-8-6-11-25-16)14-18(23)21-17-9-5-4-7-15(17)2;/h4-5,7,9,16,20H,3,6,8,10-14H2,1-2H3,(H,21,23);1H
InChIKeyTWMYNYLUIXTOFA-UHFFFAOYSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
2-(2-methoxyethylamino)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 119682407
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide
CID 112840661
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
CID 112771725

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride (CID 119682380) is N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride is CCCN(CC(=O)Nc1ccccc1C)C(=O)CNCC1CCCO1.Cl.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride?
The InChIKey is TWMYNYLUIXTOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-3-10-22(19(24)13-20-12-16-8-6-11-25-16)14-18(23)21-17-9-5-4-7-15(17)2;/h4-5,7,9,16,20H,3,6,8,10-14H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride?
N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119682380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).