4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride

C18H31Cl2N3O2 — CID 120565520

IUPAC4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NC(Cc1ccccc1)CN1CCOCC1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-15(19)7-8-18(22)20-17(13-16-5-3-2-4-6-16)14-21-9-11-23-12-10-21;;/h2-6,15,17H,7-14,19H2,1H3,(H,20,22);2*1H
InChIKeyMVWKITYFMGUWFJ-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.02
Rot. Bonds8

About 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride

4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride (PubChem CID 120565520) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
PubChem CID120565520
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NC(Cc1ccccc1)CN1CCOCC1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-15(19)7-8-18(22)20-17(13-16-5-3-2-4-6-16)14-21-9-11-23-12-10-21;;/h2-6,15,17H,7-14,19H2,1H3,(H,20,22);2*1H
InChIKeyMVWKITYFMGUWFJ-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride (CID 120565520) is 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride is CC(N)CCC(=O)NC(Cc1ccccc1)CN1CCOCC1.Cl.Cl.
What is the InChIKey of 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride?
The InChIKey is MVWKITYFMGUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-15(19)7-8-18(22)20-17(13-16-5-3-2-4-6-16)14-21-9-11-23-12-10-21;;/h2-6,15,17H,7-14,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride?
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride is sourced from PubChem (CID 120565520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).