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

C18H25N3O4 — CID 8711503

IUPAC(2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O4/c1-13(20(3)12-17(23)21-8-10-25-11-9-21)18(24)19-16-6-4-15(5-7-16)14(2)22/h4-7,13H,8-12H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyDNORACXLOURREY-ZDUSSCGKSA-N
MW347.42 g/mol
LogP1.01
Rot. Bonds6

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

(2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide (PubChem CID 8711503) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
PubChem CID8711503
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O4/c1-13(20(3)12-17(23)21-8-10-25-11-9-21)18(24)19-16-6-4-15(5-7-16)14(2)22/h4-7,13H,8-12H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyDNORACXLOURREY-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-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711519
(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
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 26008868
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
(2R)-N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide
CID 8746326
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
4-[[(2S)-2-[methyl-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]propanoyl]amino]benzamide
CID 31349609
4-[[(2R)-2-[methyl-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]propanoyl]amino]benzamide
CID 31349604
N-(4-acetylphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 4879334
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide (CID 8711503) is (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide is CC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
The InChIKey is DNORACXLOURREY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(20(3)12-17(23)21-8-10-25-11-9-21)18(24)19-16-6-4-15(5-7-16)14(2)22/h4-7,13H,8-12H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide?
(2S)-N-(4-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-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide is sourced from PubChem (CID 8711503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).