4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride

C22H30Cl2N4O3 — CID 119865080

IUPAC4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H28N4O3.2ClH/c23-20(16-17-4-2-1-3-5-17)22(28)25-19-8-6-18(7-9-19)21(27)24-10-11-26-12-14-29-15-13-26;;/h1-9,20H,10-16,23H2,(H,24,27)(H,25,28);2*1H
InChIKeyCUIVOBCQGYOCRZ-UHFFFAOYSA-N
MW469.41 g/mol
LogP2.10
Rot. Bonds8

About 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride

4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride (PubChem CID 119865080) has the molecular formula C22H30Cl2N4O3 and a molecular weight of 469.41 g/mol. Its IUPAC name is 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
PubChem CID119865080
Molecular FormulaC22H30Cl2N4O3
Molecular Weight469.41 g/mol
Exact Mass468.17
IUPAC Name4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H28N4O3.2ClH/c23-20(16-17-4-2-1-3-5-17)22(28)25-19-8-6-18(7-9-19)21(27)24-10-11-26-12-14-29-15-13-26;;/h1-9,20H,10-16,23H2,(H,24,27)(H,25,28);2*1H
InChIKeyCUIVOBCQGYOCRZ-UHFFFAOYSA-N
XLogP2.10
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate
CID 42701999
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 120612721
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
CID 119862104
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
CID 130323279

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride (CID 119865080) is 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride?
The InChIKey is CUIVOBCQGYOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3.2ClH/c23-20(16-17-4-2-1-3-5-17)22(28)25-19-8-6-18(7-9-19)21(27)24-10-11-26-12-14-29-15-13-26;;/h1-9,20H,10-16,23H2,(H,24,27)(H,25,28);2*1H.
What are the key properties of 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride?
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride has a molecular weight of 469.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119865080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).