N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide

C22H43NO2 — CID 59422787

IUPACN-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
SMILESCCC(=O)N[C@@H](CC[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C)[C@H](C)[C@H](C)CC
InChIInChI=1S/C22H43NO2/c1-9-14(4)15(5)19(23-22(24)11-3)12-13-21-18(8)16(6)17(7)20(10-2)25-21/h14-21H,9-13H2,1-8H3,(H,23,24)/t14-,15-,16+,17-,18?,19+,20?,21+/m1/s1
InChIKeyCWBWGAHCXHVWFJ-IZVGSRQOSA-N
MW353.59 g/mol
LogP5.43
Rot. Bonds9

About N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide

N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide (PubChem CID 59422787) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
PubChem CID59422787
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC NameN-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
SMILESCCC(=O)N[C@@H](CC[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C)[C@H](C)[C@H](C)CC
InChIInChI=1S/C22H43NO2/c1-9-14(4)15(5)19(23-22(24)11-3)12-13-21-18(8)16(6)17(7)20(10-2)25-21/h14-21H,9-13H2,1-8H3,(H,23,24)/t14-,15-,16+,17-,18?,19+,20?,21+/m1/s1
InChIKeyCWBWGAHCXHVWFJ-IZVGSRQOSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide with MolForge

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Related Compounds

N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
CID 57880741
CID 57880741
N-[(3S,4R,5R)-1-[(5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 58962261
N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide
CID 59967442
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)propanamide
CID 66579177
N-[(3S,4R,5R)-1-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 70857068
N-[(3S,4R,5R)-1-[(3S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 71166989
N-[4-(oxan-4-yl)butan-2-yl]acetamide
CID 89138306
N-(6-ethyl-2,4,5-trimethyloxan-3-yl)acetamide
CID 118259978
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2,2-dimethyloxane-4-carboxamide
CID 122679848
N-[(4S)-6-ethyl-2,4,5,5-tetramethyloxan-3-yl]acetamide
CID 129085993

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide?
The IUPAC name of N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide (CID 59422787) is N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide.
What is the SMILES notation for N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide?
The canonical SMILES for N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide is CCC(=O)N[C@@H](CC[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C)[C@H](C)[C@H](C)CC.
What is the InChIKey of N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide?
The InChIKey is CWBWGAHCXHVWFJ-IZVGSRQOSA-N. The full InChI is InChI=1S/C22H43NO2/c1-9-14(4)15(5)19(23-22(24)11-3)12-13-21-18(8)16(6)17(7)20(10-2)25-21/h14-21H,9-13H2,1-8H3,(H,23,24)/t14-,15-,16+,17-,18?,19+,20?,21+/m1/s1.
What are the key properties of N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide?
N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide has a molecular weight of 353.59 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide is sourced from PubChem (CID 59422787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).