2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride

C16H26Cl2N4O3 — CID 119957852

IUPAC2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
SMILESCl.Cl.NC(=O)CC(N)C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H24N4O3.2ClH/c17-14(8-15(18)21)16(22)19-9-13-11-20(6-7-23-13)10-12-4-2-1-3-5-12;;/h1-5,13-14H,6-11,17H2,(H2,18,21)(H,19,22);2*1H
InChIKeyOAJQELAESXKSJS-UHFFFAOYSA-N
MW393.32 g/mol
LogP0.05
Rot. Bonds7

About 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride

2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride (PubChem CID 119957852) has the molecular formula C16H26Cl2N4O3 and a molecular weight of 393.32 g/mol. Its IUPAC name is 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
PubChem CID119957852
Molecular FormulaC16H26Cl2N4O3
Molecular Weight393.32 g/mol
Exact Mass392.14
IUPAC Name2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
SMILESCl.Cl.NC(=O)CC(N)C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H24N4O3.2ClH/c17-14(8-15(18)21)16(22)19-9-13-11-20(6-7-23-13)10-12-4-2-1-3-5-12;;/h1-5,13-14H,6-11,17H2,(H2,18,21)(H,19,22);2*1H
InChIKeyOAJQELAESXKSJS-UHFFFAOYSA-N
XLogP0.05
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43008733
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride (CID 119957852) is 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride is Cl.Cl.NC(=O)CC(N)C(=O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride?
The InChIKey is OAJQELAESXKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.2ClH/c17-14(8-15(18)21)16(22)19-9-13-11-20(6-7-23-13)10-12-4-2-1-3-5-12;;/h1-5,13-14H,6-11,17H2,(H2,18,21)(H,19,22);2*1H.
What are the key properties of 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride?
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride has a molecular weight of 393.32 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride is sourced from PubChem (CID 119957852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).