3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride

C13H21ClN4O2 — CID 119279237

IUPAC3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCN)cc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-9(2)15-13(19)17-11-5-3-10(4-6-11)16-12(18)7-8-14;/h3-6,9H,7-8,14H2,1-2H3,(H,16,18)(H2,15,17,19);1H
InChIKeyTWCQALOHZCTOSJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.93
Rot. Bonds5

About 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride

3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride (PubChem CID 119279237) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
PubChem CID119279237
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCN)cc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-9(2)15-13(19)17-11-5-3-10(4-6-11)16-12(18)7-8-14;/h3-6,9H,7-8,14H2,1-2H3,(H,16,18)(H2,15,17,19);1H
InChIKeyTWCQALOHZCTOSJ-UHFFFAOYSA-N
XLogP1.93
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119704527
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38167098
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide
CID 38198734

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride (CID 119279237) is 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride is CC(C)NC(=O)Nc1ccc(NC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
The InChIKey is TWCQALOHZCTOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-9(2)15-13(19)17-11-5-3-10(4-6-11)16-12(18)7-8-14;/h3-6,9H,7-8,14H2,1-2H3,(H,16,18)(H2,15,17,19);1H.
What are the key properties of 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119279237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).