3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide

C19H29N3O3 — CID 95140730

IUPAC3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
SMILESCC(C)CC(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H29N3O3/c1-15(2)14-17(23)21-18(16-6-4-3-5-7-16)19(24)20-8-9-22-10-12-25-13-11-22/h3-7,15,18H,8-14H2,1-2H3,(H,20,24)(H,21,23)/t18-/m0/s1
InChIKeyCZEOPGMIQDJOJH-SFHVURJKSA-N
MW347.46 g/mol
LogP1.34
Rot. Bonds8

About 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide

3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide (PubChem CID 95140730) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
PubChem CID95140730
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
SMILESCC(C)CC(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H29N3O3/c1-15(2)14-17(23)21-18(16-6-4-3-5-7-16)19(24)20-8-9-22-10-12-25-13-11-22/h3-7,15,18H,8-14H2,1-2H3,(H,20,24)(H,21,23)/t18-/m0/s1
InChIKeyCZEOPGMIQDJOJH-SFHVURJKSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
CID 6722979
2-[7-(carboxymethyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]-10-[2-[[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122380737
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
CID 95621532
3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
CID 11512168
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(2R)-2-[2-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide;hydrochloride
CID 121452297

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide?
The IUPAC name of 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide (CID 95140730) is 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide?
The canonical SMILES for 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide is CC(C)CC(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide?
The InChIKey is CZEOPGMIQDJOJH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(2)14-17(23)21-18(16-6-4-3-5-7-16)19(24)20-8-9-22-10-12-25-13-11-22/h3-7,15,18H,8-14H2,1-2H3,(H,20,24)(H,21,23)/t18-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide?
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide has a molecular weight of 347.46 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide is sourced from PubChem (CID 95140730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).