4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride

C20H27ClN2O2 — CID 120586577

IUPAC4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(CCc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-24-19(15-21)14-20(23)22(16-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17;/h2-11,19H,12-16,21H2,1H3;1H
InChIKeyTUVQARQBWRJOAF-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.04
Rot. Bonds9

About 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride

4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride (PubChem CID 120586577) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
PubChem CID120586577
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(CCc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-24-19(15-21)14-20(23)22(16-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17;/h2-11,19H,12-16,21H2,1H3;1H
InChIKeyTUVQARQBWRJOAF-UHFFFAOYSA-N
XLogP3.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120590469
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride (CID 120586577) is 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride is COC(CN)CC(=O)N(CCc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
The InChIKey is TUVQARQBWRJOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-24-19(15-21)14-20(23)22(16-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17;/h2-11,19H,12-16,21H2,1H3;1H.
What are the key properties of 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride?
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride is sourced from PubChem (CID 120586577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).