(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide

C20H33N3O2 — CID 100685852

IUPAC(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide
SMILESCCC[C@H](NC(C)C)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-4-8-18(21-16(2)3)20(24)22-19(17-9-6-5-7-10-17)15-23-11-13-25-14-12-23/h5-7,9-10,16,18-19,21H,4,8,11-15H2,1-3H3,(H,22,24)/t18-,19-/m0/s1
InChIKeyMQISYOUTQYUIKZ-OALUTQOASA-N
MW347.50 g/mol
LogP2.34
Rot. Bonds9

About (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide

(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide (PubChem CID 100685852) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide
PubChem CID100685852
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide
SMILESCCC[C@H](NC(C)C)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-4-8-18(21-16(2)3)20(24)22-19(17-9-6-5-7-10-17)15-23-11-13-25-14-12-23/h5-7,9-10,16,18-19,21H,4,8,11-15H2,1-3H3,(H,22,24)/t18-,19-/m0/s1
InChIKeyMQISYOUTQYUIKZ-OALUTQOASA-N
XLogP2.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
6-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 102553631
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
CID 83040790
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
3-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenylpropanamide
CID 119851584
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide?
The IUPAC name of (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide (CID 100685852) is (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide is CCC[C@H](NC(C)C)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide?
The InChIKey is MQISYOUTQYUIKZ-OALUTQOASA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-8-18(21-16(2)3)20(24)22-19(17-9-6-5-7-10-17)15-23-11-13-25-14-12-23/h5-7,9-10,16,18-19,21H,4,8,11-15H2,1-3H3,(H,22,24)/t18-,19-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide?
(2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide has a molecular weight of 347.50 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 100685852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).