2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

C16H22N4O4 — CID 9222752

IUPAC2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N4O4/c1-20(10-15(22)19-16(23)18-12-3-4-12)9-14(21)17-11-5-7-13(24-2)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,21)(H2,18,19,22,23)
InChIKeyOXYBXYKXQFGYMT-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.55
Rot. Bonds7

About 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9222752) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9222752
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N4O4/c1-20(10-15(22)19-16(23)18-12-3-4-12)9-14(21)17-11-5-7-13(24-2)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,21)(H2,18,19,22,23)
InChIKeyOXYBXYKXQFGYMT-UHFFFAOYSA-N
XLogP0.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222568
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 109397914
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 9222752) is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)CC(=O)NC(=O)NC2CC2)cc1.
What is the InChIKey of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is OXYBXYKXQFGYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-20(10-15(22)19-16(23)18-12-3-4-12)9-14(21)17-11-5-7-13(24-2)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3,(H,17,21)(H2,18,19,22,23).
What are the key properties of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9222752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).