(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride

C18H31Cl2N3O2 — CID 119900647

IUPAC(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
SMILESCCC(NC(=O)[C@@H](N)CC)C1CN(Cc2ccccc2)CCO1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-3-15(19)18(22)20-16(4-2)17-13-21(10-11-23-17)12-14-8-6-5-7-9-14;;/h5-9,15-17H,3-4,10-13,19H2,1-2H3,(H,20,22);2*1H/t15-,16?,17?;;/m0../s1
InChIKeyBJJAPLNCOODMMW-IBYRWESOSA-N
MW392.37 g/mol
LogP2.36
Rot. Bonds7

About (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride

(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride (PubChem CID 119900647) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
PubChem CID119900647
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
SMILESCCC(NC(=O)[C@@H](N)CC)C1CN(Cc2ccccc2)CCO1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-3-15(19)18(22)20-16(4-2)17-13-21(10-11-23-17)12-14-8-6-5-7-9-14;;/h5-9,15-17H,3-4,10-13,19H2,1-2H3,(H,20,22);2*1H/t15-,16?,17?;;/m0../s1
InChIKeyBJJAPLNCOODMMW-IBYRWESOSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
CID 120647819
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 96542266
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 124588230
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 71917976
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride (CID 119900647) is (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride is CCC(NC(=O)[C@@H](N)CC)C1CN(Cc2ccccc2)CCO1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride?
The InChIKey is BJJAPLNCOODMMW-IBYRWESOSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-3-15(19)18(22)20-16(4-2)17-13-21(10-11-23-17)12-14-8-6-5-7-9-14;;/h5-9,15-17H,3-4,10-13,19H2,1-2H3,(H,20,22);2*1H/t15-,16?,17?;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride?
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride is sourced from PubChem (CID 119900647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).