4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride

C19H31Cl2N3O3 — CID 120939367

IUPAC4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCC(c2ccccc2)N2CCOCC2)CCOCC1
InChIInChI=1S/C19H29N3O3.2ClH/c20-15-19(6-10-24-11-7-19)18(23)21-14-17(16-4-2-1-3-5-16)22-8-12-25-13-9-22;;/h1-5,17H,6-15,20H2,(H,21,23);2*1H
InChIKeyINFSQPCCCNRLBH-UHFFFAOYSA-N
MW420.38 g/mol
LogP1.78
Rot. Bonds6

About 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride (PubChem CID 120939367) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride
PubChem CID120939367
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCC(c2ccccc2)N2CCOCC2)CCOCC1
InChIInChI=1S/C19H29N3O3.2ClH/c20-15-19(6-10-24-11-7-19)18(23)21-14-17(16-4-2-1-3-5-16)22-8-12-25-13-9-22;;/h1-5,17H,6-15,20H2,(H,21,23);2*1H
InChIKeyINFSQPCCCNRLBH-UHFFFAOYSA-N
XLogP1.78
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;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

1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255
4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
4-(aminomethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]oxane-4-carboxamide
CID 120937948
1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119859906
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide
CID 60596926
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpropanamide;dihydrochloride
CID 119853212
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120932524

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride (CID 120939367) is 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)NCC(c2ccccc2)N2CCOCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride?
The InChIKey is INFSQPCCCNRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c20-15-19(6-10-24-11-7-19)18(23)21-14-17(16-4-2-1-3-5-16)22-8-12-25-13-9-22;;/h1-5,17H,6-15,20H2,(H,21,23);2*1H.
What are the key properties of 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120939367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).