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

C19H25ClN4O2 — CID 120608573

IUPAC3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13(2)21-19(25)23-16-10-8-15(9-11-16)22-18(24)12-7-14-5-3-4-6-17(14)20;/h3-6,8-11,13H,7,12,20H2,1-2H3,(H,22,24)(H2,21,23,25);1H
InChIKeyFXVTVDSRLKPBBB-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.79
Rot. Bonds6

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

3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride (PubChem CID 120608573) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
PubChem CID120608573
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13(2)21-19(25)23-16-10-8-15(9-11-16)22-18(24)12-7-14-5-3-4-6-17(14)20;/h3-6,8-11,13H,7,12,20H2,1-2H3,(H,22,24)(H2,21,23,25);1H
InChIKeyFXVTVDSRLKPBBB-UHFFFAOYSA-N
XLogP3.79
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 54795481
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
ethyl 2-[[4-[3-(2-aminophenyl)propanoylamino]benzoyl]amino]propanoate;hydrochloride
CID 120611424
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride
CID 120611222
2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 120608743
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
2-naphthalen-1-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38175338

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride (CID 120608573) is 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride is CC(C)NC(=O)Nc1ccc(NC(=O)CCc2ccccc2N)cc1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
The InChIKey is FXVTVDSRLKPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-13(2)21-19(25)23-16-10-8-15(9-11-16)22-18(24)12-7-14-5-3-4-6-17(14)20;/h3-6,8-11,13H,7,12,20H2,1-2H3,(H,22,24)(H2,21,23,25);1H.
What are the key properties of 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.79, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120608573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).