(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride

C19H25ClN2O4 — CID 119272311

IUPAC(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(CNC(=O)[C@@H](N)Cc2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-16-10-14(11-17(24-2)18(16)25-3)12-21-19(22)15(20)9-13-7-5-4-6-8-13;/h4-8,10-11,15H,9,12,20H2,1-3H3,(H,21,22);1H/t15-;/m0./s1
InChIKeyLUYRNKPOJVGOGQ-RSAXXLAASA-N
MW380.87 g/mol
LogP2.32
Rot. Bonds8

About (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride

(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119272311) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119272311
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(CNC(=O)[C@@H](N)Cc2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-16-10-14(11-17(24-2)18(16)25-3)12-21-19(22)15(20)9-13-7-5-4-6-8-13;/h4-8,10-11,15H,9,12,20H2,1-3H3,(H,21,22);1H/t15-;/m0./s1
InChIKeyLUYRNKPOJVGOGQ-RSAXXLAASA-N
XLogP2.32
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
(2S)-2-amino-4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119272313
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 119303471
2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120988226
3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 48850397
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119286541
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride (CID 119272311) is (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride is COc1cc(CNC(=O)[C@@H](N)Cc2ccccc2)cc(OC)c1OC.Cl.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is LUYRNKPOJVGOGQ-RSAXXLAASA-N. The full InChI is InChI=1S/C19H24N2O4.ClH/c1-23-16-10-14(11-17(24-2)18(16)25-3)12-21-19(22)15(20)9-13-7-5-4-6-8-13;/h4-8,10-11,15H,9,12,20H2,1-3H3,(H,21,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119272311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).