4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride

C16H27Cl2N3O2 — CID 119890424

IUPAC4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)CCCN.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-13-4-5-14(12-19-7-9-21-10-8-19)11-15(13)18-16(20)3-2-6-17;;/h4-5,11H,2-3,6-10,12,17H2,1H3,(H,18,20);2*1H
InChIKeyCSCMOGGUEJEERC-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.35
Rot. Bonds6

About 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride

4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride (PubChem CID 119890424) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
PubChem CID119890424
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)CCCN.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-13-4-5-14(12-19-7-9-21-10-8-19)11-15(13)18-16(20)3-2-6-17;;/h4-5,11H,2-3,6-10,12,17H2,1H3,(H,18,20);2*1H
InChIKeyCSCMOGGUEJEERC-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
CID 119890381
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
CID 120597087
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119890420
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119890419
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119890395
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride (CID 119890424) is 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride is Cc1ccc(CN2CCOCC2)cc1NC(=O)CCCN.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
The InChIKey is CSCMOGGUEJEERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-13-4-5-14(12-19-7-9-21-10-8-19)11-15(13)18-16(20)3-2-6-17;;/h4-5,11H,2-3,6-10,12,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride?
4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119890424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).