(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide

C18H25N3O4 — CID 8711519

IUPAC(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25N3O4/c1-13(20(3)12-17(23)21-7-9-25-10-8-21)18(24)19-16-6-4-5-15(11-16)14(2)22/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyVFXIGPQQQPEEMX-ZDUSSCGKSA-N
MW347.42 g/mol
LogP1.01
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide

(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide (PubChem CID 8711519) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
PubChem CID8711519
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25N3O4/c1-13(20(3)12-17(23)21-7-9-25-10-8-21)18(24)19-16-6-4-5-15(11-16)14(2)22/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyVFXIGPQQQPEEMX-ZDUSSCGKSA-N
XLogP1.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711503
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
(2R)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8711659
(2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8711661
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-(3-acetylphenyl)morpholine-4-carbothioamide
CID 19653714
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 30172697
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
(2S)-N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 9286593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide (CID 8711519) is (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
The InChIKey is VFXIGPQQQPEEMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(20(3)12-17(23)21-7-9-25-10-8-21)18(24)19-16-6-4-5-15(11-16)14(2)22/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide is sourced from PubChem (CID 8711519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).