(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide

C21H41N3O3 — CID 67023556

IUPAC(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
SMILESCC(C)(C)OC[C@H](CN1CCOCC1)NC(=O)CC[C@H](N)C1CCCCC1
InChIInChI=1S/C21H41N3O3/c1-21(2,3)27-16-18(15-24-11-13-26-14-12-24)23-20(25)10-9-19(22)17-7-5-4-6-8-17/h17-19H,4-16,22H2,1-3H3,(H,23,25)/t18-,19-/m0/s1
InChIKeyWEBQFGYYLYTXIM-OALUTQOASA-N
MW383.58 g/mol
LogP2.31
Rot. Bonds9

About (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide

(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide (PubChem CID 67023556) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide.

Molecular Properties

Compound Name(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
PubChem CID67023556
Molecular FormulaC21H41N3O3
Molecular Weight383.58 g/mol
Exact Mass383.31
IUPAC Name(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
SMILESCC(C)(C)OC[C@H](CN1CCOCC1)NC(=O)CC[C@H](N)C1CCCCC1
InChIInChI=1S/C21H41N3O3/c1-21(2,3)27-16-18(15-24-11-13-26-14-12-24)23-20(25)10-9-19(22)17-7-5-4-6-8-17/h17-19H,4-16,22H2,1-3H3,(H,23,25)/t18-,19-/m0/s1
InChIKeyWEBQFGYYLYTXIM-OALUTQOASA-N
XLogP2.31
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
The IUPAC name of (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide (CID 67023556) is (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide.
What is the SMILES notation for (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
The canonical SMILES for (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide is CC(C)(C)OC[C@H](CN1CCOCC1)NC(=O)CC[C@H](N)C1CCCCC1.
What is the InChIKey of (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
The InChIKey is WEBQFGYYLYTXIM-OALUTQOASA-N. The full InChI is InChI=1S/C21H41N3O3/c1-21(2,3)27-16-18(15-24-11-13-26-14-12-24)23-20(25)10-9-19(22)17-7-5-4-6-8-17/h17-19H,4-16,22H2,1-3H3,(H,23,25)/t18-,19-/m0/s1.
What are the key properties of (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide has a molecular weight of 383.58 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide is sourced from PubChem (CID 67023556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).