N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide

C22H41NO3 — CID 97423865

IUPACN-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
SMILESCCCC[C@@]1(CCN(C(C)=O)[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1
InChIInChI=1S/C22H41NO3/c1-7-8-10-22(12-15-26-21(5,6)17-22)11-13-23(18(2)24)19-9-14-25-20(3,4)16-19/h19H,7-17H2,1-6H3/t19-,22-/m1/s1
InChIKeyNYWWAIACGJVGOL-DENIHFKCSA-N
MW367.57 g/mol
LogP4.95
Rot. Bonds7

About N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide

N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide (PubChem CID 97423865) has the molecular formula C22H41NO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
PubChem CID97423865
Molecular FormulaC22H41NO3
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC NameN-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
SMILESCCCC[C@@]1(CCN(C(C)=O)[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1
InChIInChI=1S/C22H41NO3/c1-7-8-10-22(12-15-26-21(5,6)17-22)11-13-23(18(2)24)19-9-14-25-20(3,4)16-19/h19H,7-17H2,1-6H3/t19-,22-/m1/s1
InChIKeyNYWWAIACGJVGOL-DENIHFKCSA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide with MolForge

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Related Compounds

N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 42654291
2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
CID 97424908
N-[(4S)-2,2-dimethyloxan-4-yl]-N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]acetamide
CID 39313759
N-[2-[1-(4-chlorophenyl)cyclopentyl]ethyl]-N-(2,2-dimethyloxan-4-yl)propanamide
CID 42654844
N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 39309555
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
N-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide
CID 83033491
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N-dodecylacetamide
CID 71322405
4-[(2,2-dimethyloxan-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66252149
N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
CID 39340865
2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
CID 65054656
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
The IUPAC name of N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide (CID 97423865) is N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
The canonical SMILES for N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide is CCCC[C@@]1(CCN(C(C)=O)[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1.
What is the InChIKey of N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
The InChIKey is NYWWAIACGJVGOL-DENIHFKCSA-N. The full InChI is InChI=1S/C22H41NO3/c1-7-8-10-22(12-15-26-21(5,6)17-22)11-13-23(18(2)24)19-9-14-25-20(3,4)16-19/h19H,7-17H2,1-6H3/t19-,22-/m1/s1.
What are the key properties of N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide?
N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide has a molecular weight of 367.57 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]ethyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 97423865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).