N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide

About N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide

N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide (PubChem CID 54640378) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide.

Molecular Properties

Compound Name	N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
PubChem CID	54640378
Molecular Formula	C20H33N3O5
Molecular Weight	395.50 g/mol
Exact Mass	395.24
IUPAC Name	N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES	O=C(C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCCCC1
InChI	InChI=1S/C20H33N3O5/c24-14-18-17(22-20(26)13-23-8-10-27-11-9-23)7-6-16(28-18)12-19(25)21-15-4-2-1-3-5-15/h6-7,15-18,24H,1-5,8-14H2,(H,21,25)(H,22,26)/t16-,17+,18+/m1/s1
InChIKey	DQIDKWUHVOLFRC-SQNIBIBYSA-N
XLogP	-0.04
TPSA	100.13 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

The IUPAC name of N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide (CID 54640378) is N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide.

What is the SMILES notation for N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

The canonical SMILES for N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide is O=C(C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCCCC1.

What is the InChIKey of N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

The InChIKey is DQIDKWUHVOLFRC-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H33N3O5/c24-14-18-17(22-20(26)13-23-8-10-27-11-9-23)7-6-16(28-18)12-19(25)21-15-4-2-1-3-5-15/h6-7,15-18,24H,1-5,8-14H2,(H,21,25)(H,22,26)/t16-,17+,18+/m1/s1.

What are the key properties of N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-morpholin-4-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide is sourced from PubChem (CID 54640378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).