4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide

C17H25N3O4 — CID 120592838

IUPAC4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C17H25N3O4/c1-12-3-4-13(17(22)20-5-7-24-8-6-20)9-15(12)19-16(21)10-14(11-18)23-2/h3-4,9,14H,5-8,10-11,18H2,1-2H3,(H,19,21)
InChIKeyQXQZVOYBZIYJOX-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.77
Rot. Bonds6

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

4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide (PubChem CID 120592838) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
PubChem CID120592838
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C17H25N3O4/c1-12-3-4-13(17(22)20-5-7-24-8-6-20)9-15(12)19-16(21)10-14(11-18)23-2/h3-4,9,14H,5-8,10-11,18H2,1-2H3,(H,19,21)
InChIKeyQXQZVOYBZIYJOX-UHFFFAOYSA-N
XLogP0.77
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide
CID 120597087
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215
3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide
CID 103154850
4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120594111
3-amino-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119950750
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119795362
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate
CID 8711615
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120596003
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 120595061
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide (CID 120592838) is 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide is COC(CN)CC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C.
What is the InChIKey of 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is QXQZVOYBZIYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-3-4-13(17(22)20-5-7-24-8-6-20)9-15(12)19-16(21)10-14(11-18)23-2/h3-4,9,14H,5-8,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide?
4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 335.40 g/mol, XLogP of 0.77, 6 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-(morpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 120592838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).