N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide

C24H38N4O3 — CID 112840661

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C24H38N4O3/c1-3-10-28(18-23(29)25-22-7-5-4-6-20(22)2)24(30)19-26-11-8-21(9-12-26)17-27-13-15-31-16-14-27/h4-7,21H,3,8-19H2,1-2H3,(H,25,29)
InChIKeyGOQBRPJAWWCNDO-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.22
Rot. Bonds9

About N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide

N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide (PubChem CID 112840661) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide
PubChem CID112840661
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C24H38N4O3/c1-3-10-28(18-23(29)25-22-7-5-4-6-20(22)2)24(30)19-26-11-8-21(9-12-26)17-27-13-15-31-16-14-27/h4-7,21H,3,8-19H2,1-2H3,(H,25,29)
InChIKeyGOQBRPJAWWCNDO-UHFFFAOYSA-N
XLogP2.22
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide
CID 112841143
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 112826133
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(2-ethylphenyl)-2-[[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetyl]amino]acetamide
CID 78899179
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
N-[2-(2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)-N-propylacetamide;hydrochloride
CID 119682380
2-[4-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694527
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
1-ethylsulfonyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 31976227

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide (CID 112840661) is N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCC(CN2CCOCC2)CC1.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide?
The InChIKey is GOQBRPJAWWCNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-3-10-28(18-23(29)25-22-7-5-4-6-20(22)2)24(30)19-26-11-8-21(9-12-26)17-27-13-15-31-16-14-27/h4-7,21H,3,8-19H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide?
N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide has a molecular weight of 430.59 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 112840661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).