3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride

C21H31Cl2N3O2 — CID 119952938

IUPAC3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)CCOc1ccccc1NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H29N3O2.2ClH/c1-3-24(4-2)14-15-26-20-13-9-8-12-19(20)23-21(25)16-18(22)17-10-6-5-7-11-17;;/h5-13,18H,3-4,14-16,22H2,1-2H3,(H,23,25);2*1H
InChIKeyUSTNOYJIEMGVKZ-UHFFFAOYSA-N
MW428.40 g/mol
LogP4.28
Rot. Bonds10

About 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119952938) has the molecular formula C21H31Cl2N3O2 and a molecular weight of 428.40 g/mol. Its IUPAC name is 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119952938
Molecular FormulaC21H31Cl2N3O2
Molecular Weight428.40 g/mol
Exact Mass427.18
IUPAC Name3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride
SMILESCCN(CC)CCOc1ccccc1NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H29N3O2.2ClH/c1-3-24(4-2)14-15-26-20-13-9-8-12-19(20)23-21(25)16-18(22)17-10-6-5-7-11-17;;/h5-13,18H,3-4,14-16,22H2,1-2H3,(H,23,25);2*1H
InChIKeyUSTNOYJIEMGVKZ-UHFFFAOYSA-N
XLogP4.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119949937
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
2-(3,4-dichlorophenyl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 17499285
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 55538484
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
CID 56514095
3-amino-N-(2-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 43708900
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride (CID 119952938) is 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride is CCN(CC)CCOc1ccccc1NC(=O)CC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is USTNOYJIEMGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.2ClH/c1-3-24(4-2)14-15-26-20-13-9-8-12-19(20)23-21(25)16-18(22)17-10-6-5-7-11-17;;/h5-13,18H,3-4,14-16,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 428.40 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119952938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).