2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone

C16H29NO3 — CID 97265501

IUPAC2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone
SMILESCCC[C@]1(CC(=O)N2CCOCC2)CCOC(C)(C)C1
InChIInChI=1S/C16H29NO3/c1-4-5-16(6-9-20-15(2,3)13-16)12-14(18)17-7-10-19-11-8-17/h4-13H2,1-3H3/t16-/m1/s1
InChIKeyDCMMJWBPVXEFAE-MRXNPFEDSA-N
MW283.41 g/mol
LogP2.61
Rot. Bonds4

About 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone

2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone (PubChem CID 97265501) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone
PubChem CID97265501
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone
SMILESCCC[C@]1(CC(=O)N2CCOCC2)CCOC(C)(C)C1
InChIInChI=1S/C16H29NO3/c1-4-5-16(6-9-20-15(2,3)13-16)12-14(18)17-7-10-19-11-8-17/h4-13H2,1-3H3/t16-/m1/s1
InChIKeyDCMMJWBPVXEFAE-MRXNPFEDSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone (CID 97265501) is 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone is CCC[C@]1(CC(=O)N2CCOCC2)CCOC(C)(C)C1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is DCMMJWBPVXEFAE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-5-16(6-9-20-15(2,3)13-16)12-14(18)17-7-10-19-11-8-17/h4-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone?
2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 283.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97265501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).