2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide

C16H23N3O3 — CID 69060079

IUPAC2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)9-14(17)16(21)18-12-3-5-13(6-4-12)19-7-8-22-10-15(19)20/h3-6,11,14H,7-10,17H2,1-2H3,(H,18,21)
InChIKeyZKVCAVSTDKFTKV-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide

2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide (PubChem CID 69060079) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
PubChem CID69060079
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)9-14(17)16(21)18-12-3-5-13(6-4-12)19-7-8-22-10-15(19)20/h3-6,11,14H,7-10,17H2,1-2H3,(H,18,21)
InChIKeyZKVCAVSTDKFTKV-UHFFFAOYSA-N
XLogP1.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-methyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]pentan-2-yl]thiophene-2-carboxamide
CID 68882975
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869078
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-[(3-cyano-4-fluorophenyl)methyl]-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide;1-hydroxypropan-2-one
CID 123535899
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide (CID 69060079) is 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide is CC(C)CC(N)C(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
The InChIKey is ZKVCAVSTDKFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)9-14(17)16(21)18-12-3-5-13(6-4-12)19-7-8-22-10-15(19)20/h3-6,11,14H,7-10,17H2,1-2H3,(H,18,21).
What are the key properties of 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide?
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide has a molecular weight of 305.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide is sourced from PubChem (CID 69060079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).