4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide

C17H27N3O3 — CID 120597087

IUPAC4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cc(CN2CCOCC2)ccc1C
InChIInChI=1S/C17H27N3O3/c1-13-3-4-14(12-20-5-7-23-8-6-20)9-16(13)19-17(21)10-15(11-18)22-2/h3-4,9,15H,5-8,10-12,18H2,1-2H3,(H,19,21)
InChIKeyJCGAHFVFKWVSBG-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.13
Rot. Bonds7

About 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide

4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide (PubChem CID 120597087) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
PubChem CID120597087
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cc(CN2CCOCC2)ccc1C
InChIInChI=1S/C17H27N3O3/c1-13-3-4-14(12-20-5-7-23-8-6-20)9-16(13)19-17(21)10-15(11-18)22-2/h3-4,9,15H,5-8,10-12,18H2,1-2H3,(H,19,21)
InChIKeyJCGAHFVFKWVSBG-UHFFFAOYSA-N
XLogP1.13
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
CID 120592838
4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119890424
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119890420
7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
CID 119890381
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120595053
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120596003
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119890395
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119890419
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 120595061

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide (CID 120597087) is 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide is COC(CN)CC(=O)Nc1cc(CN2CCOCC2)ccc1C.
What is the InChIKey of 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide?
The InChIKey is JCGAHFVFKWVSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13-3-4-14(12-20-5-7-23-8-6-20)9-16(13)19-17(21)10-15(11-18)22-2/h3-4,9,15H,5-8,10-12,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide?
4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide has a molecular weight of 321.42 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 120597087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).