2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide

C16H22N4O3 — CID 47077671

IUPAC2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C16H22N4O3/c1-20(2)15(22)9-11-5-3-4-6-13(11)17-10-14(21)19-16(23)18-12-7-8-12/h3-6,12,17H,7-10H2,1-2H3,(H2,18,19,21,23)
InChIKeyNTXSLKQLULRAGO-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.72
Rot. Bonds6

About 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide

2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 47077671) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
PubChem CID47077671
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C16H22N4O3/c1-20(2)15(22)9-11-5-3-4-6-13(11)17-10-14(21)19-16(23)18-12-7-8-12/h3-6,12,17H,7-10H2,1-2H3,(H2,18,19,21,23)
InChIKeyNTXSLKQLULRAGO-UHFFFAOYSA-N
XLogP0.72
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide
CID 42069187
N,N-dimethyl-2-[2-[[2-oxo-2-(propylamino)ethyl]amino]phenyl]acetamide
CID 47409577
N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide
CID 84593860
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606580
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
2-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
CID 47077664
N-(cyclopentylcarbamoyl)-2-(2-phenoxyanilino)acetamide
CID 17404437
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
CID 24510602
N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
CID 71882424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide (CID 47077671) is 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NCC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is NTXSLKQLULRAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-20(2)15(22)9-11-5-3-4-6-13(11)17-10-14(21)19-16(23)18-12-7-8-12/h3-6,12,17H,7-10H2,1-2H3,(H2,18,19,21,23).
What are the key properties of 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide?
2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 318.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 47077671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).