2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide

C15H22N4O3 — CID 51178190

IUPAC2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H22N4O3/c1-9(2)13(20)18-12-7-5-11(6-8-12)17-10(3)14(21)19-15(22)16-4/h5-10,17H,1-4H3,(H,18,20)(H2,16,19,21,22)
InChIKeySIMIAICBOGKHIJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.54
Rot. Bonds5

About 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide

2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide (PubChem CID 51178190) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
PubChem CID51178190
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H22N4O3/c1-9(2)13(20)18-12-7-5-11(6-8-12)17-10(3)14(21)19-15(22)16-4/h5-10,17H,1-4H3,(H,18,20)(H2,16,19,21,22)
InChIKeySIMIAICBOGKHIJ-UHFFFAOYSA-N
XLogP1.54
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43084432
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
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2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
CID 25345040
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
2-(dibenzofuran-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 17430257
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide (CID 51178190) is 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide is CNC(=O)NC(=O)C(C)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
The InChIKey is SIMIAICBOGKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)13(20)18-12-7-5-11(6-8-12)17-10(3)14(21)19-15(22)16-4/h5-10,17H,1-4H3,(H,18,20)(H2,16,19,21,22).
What are the key properties of 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide?
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide has a molecular weight of 306.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 51178190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).