N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C12H19ClN4O2 — CID 119701452

IUPACN-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-8(7-14-2)11(17)15-9-3-5-10(6-4-9)16-12(13)18;/h3-6,8,14H,7H2,1-2H3,(H,15,17)(H3,13,16,18);1H
InChIKeyPRFFNJRIEYCBQC-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.39
Rot. Bonds5

About N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119701452) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119701452
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC NameN-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-8(7-14-2)11(17)15-9-3-5-10(6-4-9)16-12(13)18;/h3-6,8,14H,7H2,1-2H3,(H,15,17)(H3,13,16,18);1H
InChIKeyPRFFNJRIEYCBQC-UHFFFAOYSA-N
XLogP1.39
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119701163
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
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
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
CID 107903880
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119701452) is N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(NC(N)=O)cc1.Cl.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is PRFFNJRIEYCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-8(7-14-2)11(17)15-9-3-5-10(6-4-9)16-12(13)18;/h3-6,8,14H,7H2,1-2H3,(H,15,17)(H3,13,16,18);1H.
What are the key properties of N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119701452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).