2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide

C13H20N4O2 — CID 79195690

IUPAC2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C13H20N4O2/c1-9(8-14-2)12(18)16-10-4-6-11(7-5-10)17-13(19)15-3/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H2,15,17,19)
InChIKeyYTXHXOCOHOPDNI-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide

2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide (PubChem CID 79195690) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
PubChem CID79195690
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C13H20N4O2/c1-9(8-14-2)12(18)16-10-4-6-11(7-5-10)17-13(19)15-3/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H2,15,17,19)
InChIKeyYTXHXOCOHOPDNI-UHFFFAOYSA-N
XLogP1.23
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
2-bromo-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 107903873
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119769549
2-methyl-3-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 119742882
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide (CID 79195690) is 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide is CNCC(C)C(=O)Nc1ccc(NC(=O)NC)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
The InChIKey is YTXHXOCOHOPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(8-14-2)12(18)16-10-4-6-11(7-5-10)17-13(19)15-3/h4-7,9,14H,8H2,1-3H3,(H,16,18)(H2,15,17,19).
What are the key properties of 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide?
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide has a molecular weight of 264.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 79195690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).