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

C12H19ClN4O2 — CID 119702019

IUPACN-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-8(7-14-2)11(17)15-9-4-3-5-10(6-9)16-12(13)18;/h3-6,8,14H,7H2,1-2H3,(H,15,17)(H3,13,16,18);1H
InChIKeyJHENYYOIFODJQB-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.39
Rot. Bonds5

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

N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119702019) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119702019
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-8(7-14-2)11(17)15-9-4-3-5-10(6-9)16-12(13)18;/h3-6,8,14H,7H2,1-2H3,(H,15,17)(H3,13,16,18);1H
InChIKeyJHENYYOIFODJQB-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

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3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
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N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
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(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
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2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
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2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
CID 79202787
N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
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N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
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2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119702019) is N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1cccc(NC(N)=O)c1.Cl.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is JHENYYOIFODJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-8(7-14-2)11(17)15-9-4-3-5-10(6-9)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-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[3-(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-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119702019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).