2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride

C24H34ClN3O3 — CID 70362481

IUPAC2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCc1cc(O)cc(C)c1CC(N)C(=O)N(C(C)CCc1ccccc1)[C@H](C)C(N)=O.Cl
InChIInChI=1S/C24H33N3O3.ClH/c1-15-12-20(28)13-16(2)21(15)14-22(25)24(30)27(18(4)23(26)29)17(3)10-11-19-8-6-5-7-9-19;/h5-9,12-13,17-18,22,28H,10-11,14,25H2,1-4H3,(H2,26,29);1H/t17?,18-,22?;/m1./s1
InChIKeyVMGDJDNSDBQGDG-KYQZHRMOSA-N
MW448.01 g/mol
LogP3.02
Rot. Bonds9

About 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride

2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride (PubChem CID 70362481) has the molecular formula C24H34ClN3O3 and a molecular weight of 448.01 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
PubChem CID70362481
Molecular FormulaC24H34ClN3O3
Molecular Weight448.01 g/mol
Exact Mass447.23
IUPAC Name2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
SMILESCc1cc(O)cc(C)c1CC(N)C(=O)N(C(C)CCc1ccccc1)[C@H](C)C(N)=O.Cl
InChIInChI=1S/C24H33N3O3.ClH/c1-15-12-20(28)13-16(2)21(15)14-22(25)24(30)27(18(4)23(26)29)17(3)10-11-19-8-6-5-7-9-19;/h5-9,12-13,17-18,22,28H,10-11,14,25H2,1-4H3,(H2,26,29);1H/t17?,18-,22?;/m1./s1
InChIKeyVMGDJDNSDBQGDG-KYQZHRMOSA-N
XLogP3.02
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride 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

(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl]propanamide;hydrochloride
CID 70362479
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl]propanamide
CID 70362483
(2S)-2-amino-N-[4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]butyl]-3-phenylpropanamide
CID 10960900
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[2-(3-phenylpropylsulfanyl)ethyl]propanamide
CID 14852306
tert-butyl N-[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propanoyl]-N-(4-phenylbutyl)carbamate
CID 18611880
(2R)-2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(3-pyrimidin-5-ylpropyl)propanamide
CID 54165434
tert-butyl N-[1-[[(2R)-1-amino-1-oxopropan-2-yl]-(3-phenylpropyl)amino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate
CID 54273530
(2R)-2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide
CID 14208584
2-amino-3-(2-chloro-4-hydroxy-6-methylphenyl)-N-methyl-N-phenylpropanamide
CID 23301663
(2S)-2-amino-N-[(2R)-1-[[(2S)-2-amino-3-phenylpropyl]amino]propan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 144507668
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 73212369
(6R)-2,6-diamino-4-ethylsulfinyl-7-(4-hydroxy-2,6-dimethylphenyl)-5-oxo-N-(3-phenylpropyl)heptanamide
CID 70407406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride (CID 70362481) is 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride is Cc1cc(O)cc(C)c1CC(N)C(=O)N(C(C)CCc1ccccc1)[C@H](C)C(N)=O.Cl.
What is the InChIKey of 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
The InChIKey is VMGDJDNSDBQGDG-KYQZHRMOSA-N. The full InChI is InChI=1S/C24H33N3O3.ClH/c1-15-12-20(28)13-16(2)21(15)14-22(25)24(30)27(18(4)23(26)29)17(3)10-11-19-8-6-5-7-9-19;/h5-9,12-13,17-18,22,28H,10-11,14,25H2,1-4H3,(H2,26,29);1H/t17?,18-,22?;/m1./s1.
What are the key properties of 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride?
2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride has a molecular weight of 448.01 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-phenylbutan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 70362481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).