N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide

C26H41NO3 — CID 7079370

IUPACN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide
SMILESCCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)C[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C26H41NO3/c1-6-23(28)27(19-21-12-16-29-24(2,3)18-21)15-13-26(22-10-8-7-9-11-22)14-17-30-25(4,5)20-26/h7-11,21H,6,12-20H2,1-5H3/t21-,26+/m0/s1
InChIKeyGKDKSIREVZNNIU-HFZDXXHNSA-N
MW415.62 g/mol
LogP5.35
Rot. Bonds7

About N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide

N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide (PubChem CID 7079370) has the molecular formula C26H41NO3 and a molecular weight of 415.62 g/mol. Its IUPAC name is N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide
PubChem CID7079370
Molecular FormulaC26H41NO3
Molecular Weight415.62 g/mol
Exact Mass415.31
IUPAC NameN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide
SMILESCCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)C[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C26H41NO3/c1-6-23(28)27(19-21-12-16-29-24(2,3)18-21)15-13-26(22-10-8-7-9-11-22)14-17-30-25(4,5)20-26/h7-11,21H,6,12-20H2,1-5H3/t21-,26+/m0/s1
InChIKeyGKDKSIREVZNNIU-HFZDXXHNSA-N
XLogP5.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide?
The IUPAC name of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide (CID 7079370) is N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide?
The canonical SMILES for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide is CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)C[C@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide?
The InChIKey is GKDKSIREVZNNIU-HFZDXXHNSA-N. The full InChI is InChI=1S/C26H41NO3/c1-6-23(28)27(19-21-12-16-29-24(2,3)18-21)15-13-26(22-10-8-7-9-11-22)14-17-30-25(4,5)20-26/h7-11,21H,6,12-20H2,1-5H3/t21-,26+/m0/s1.
What are the key properties of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide?
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide has a molecular weight of 415.62 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide is sourced from PubChem (CID 7079370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).