(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide

C16H25N3O2 — CID 104983793

IUPAC(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N3O2/c17-15(7-6-14-4-2-1-3-5-14)16(20)18-8-9-19-10-12-21-13-11-19/h1-5,15H,6-13,17H2,(H,18,20)/t15-/m0/s1
InChIKeyNHLCPPFXFFCBTK-HNNXBMFYSA-N
MW291.39 g/mol
LogP0.39
Rot. Bonds7

About (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide

(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide (PubChem CID 104983793) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
PubChem CID104983793
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N3O2/c17-15(7-6-14-4-2-1-3-5-14)16(20)18-8-9-19-10-12-21-13-11-19/h1-5,15H,6-13,17H2,(H,18,20)/t15-/m0/s1
InChIKeyNHLCPPFXFFCBTK-HNNXBMFYSA-N
XLogP0.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
(2R)-N-(2-morpholin-4-ylethyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 110205726
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide
CID 131845980
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide (CID 104983793) is (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide?
The InChIKey is NHLCPPFXFFCBTK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-15(7-6-14-4-2-1-3-5-14)16(20)18-8-9-19-10-12-21-13-11-19/h1-5,15H,6-13,17H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide?
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide is sourced from PubChem (CID 104983793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).