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

C19H29N3O3 — CID 8711661

IUPAC(2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(2)16-5-7-17(8-6-16)20-19(24)15(3)21(4)13-18(23)22-9-11-25-12-10-22/h5-8,14-15H,9-13H2,1-4H3,(H,20,24)/t15-/m0/s1
InChIKeyZQVPUDMJSDKIGG-HNNXBMFYSA-N
MW347.46 g/mol
LogP1.93
Rot. Bonds6

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

(2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 8711661) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID8711661
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(2)16-5-7-17(8-6-16)20-19(24)15(3)21(4)13-18(23)22-9-11-25-12-10-22/h5-8,14-15H,9-13H2,1-4H3,(H,20,24)/t15-/m0/s1
InChIKeyZQVPUDMJSDKIGG-HNNXBMFYSA-N
XLogP1.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8711659
(2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711503
(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711519
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 9357083
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)acetamide
CID 4134863
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
(2S)-2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 25439831
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711690
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide (CID 8711661) is (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is ZQVPUDMJSDKIGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)16-5-7-17(8-6-16)20-19(24)15(3)21(4)13-18(23)22-9-11-25-12-10-22/h5-8,14-15H,9-13H2,1-4H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
(2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 8711661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).