3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride

C16H27Cl2N3O2 — CID 119847390

IUPAC3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1cccc(CN2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-13(17)9-16(20)18-11-14-3-2-4-15(10-14)12-19-5-7-21-8-6-19;;/h2-4,10,13H,5-9,11-12,17H2,1H3,(H,18,20);2*1H
InChIKeyCLLZHWRMVZLKSA-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.72
Rot. Bonds6

About 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride

3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride (PubChem CID 119847390) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
PubChem CID119847390
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1cccc(CN2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-13(17)9-16(20)18-11-14-3-2-4-15(10-14)12-19-5-7-21-8-6-19;;/h2-4,10,13H,5-9,11-12,17H2,1H3,(H,18,20);2*1H
InChIKeyCLLZHWRMVZLKSA-UHFFFAOYSA-N
XLogP1.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 119867445
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
(2S)-2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-methylpentanamide
CID 119867379
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide
CID 138665807
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
2-methyl-1-(3-methylbutan-2-yl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111000377

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride (CID 119847390) is 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride is CC(N)CC(=O)NCc1cccc(CN2CCOCC2)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
The InChIKey is CLLZHWRMVZLKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-13(17)9-16(20)18-11-14-3-2-4-15(10-14)12-19-5-7-21-8-6-19;;/h2-4,10,13H,5-9,11-12,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119847390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).