N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide

C27H37NO2 — CID 98231278

IUPACN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1
InChIInChI=1S/C27H37NO2/c1-5-26(29)28(21(2)22-12-8-6-9-13-22)18-16-25(23-14-10-7-11-15-23)24-17-19-30-27(3,4)20-24/h6-15,21,24-25H,5,16-20H2,1-4H3/t21-,24-,25+/m1/s1
InChIKeyAKAMYEOOALBFQV-SDUSCBPUSA-N
MW407.60 g/mol
LogP6.37
Rot. Bonds8

About N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide

N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 98231278) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID98231278
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC NameN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1
InChIInChI=1S/C27H37NO2/c1-5-26(29)28(21(2)22-12-8-6-9-13-22)18-16-25(23-14-10-7-11-15-23)24-17-19-30-27(3,4)20-24/h6-15,21,24-25H,5,16-20H2,1-4H3/t21-,24-,25+/m1/s1
InChIKeyAKAMYEOOALBFQV-SDUSCBPUSA-N
XLogP6.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide (CID 98231278) is N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide is CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1.
What is the InChIKey of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is AKAMYEOOALBFQV-SDUSCBPUSA-N. The full InChI is InChI=1S/C27H37NO2/c1-5-26(29)28(21(2)22-12-8-6-9-13-22)18-16-25(23-14-10-7-11-15-23)24-17-19-30-27(3,4)20-24/h6-15,21,24-25H,5,16-20H2,1-4H3/t21-,24-,25+/m1/s1.
What are the key properties of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide?
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 407.60 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 98231278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).