N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide

C23H30ClNO3 — CID 2040503

IUPACN-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1
InChIInChI=1S/C23H30ClNO3/c1-18(26)25(16-20-8-6-13-27-20)12-10-23(11-14-28-22(2,3)17-23)15-19-7-4-5-9-21(19)24/h4-9,13H,10-12,14-17H2,1-3H3/t23-/m1/s1
InChIKeyJCJKXYSDLBOZQP-HSZRJFAPSA-N
MW403.95 g/mol
LogP5.49
Rot. Bonds7

About N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide

N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 2040503) has the molecular formula C23H30ClNO3 and a molecular weight of 403.95 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID2040503
Molecular FormulaC23H30ClNO3
Molecular Weight403.95 g/mol
Exact Mass403.19
IUPAC NameN-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1
InChIInChI=1S/C23H30ClNO3/c1-18(26)25(16-20-8-6-13-27-20)12-10-23(11-14-28-22(2,3)17-23)15-19-7-4-5-9-21(19)24/h4-9,13H,10-12,14-17H2,1-3H3/t23-/m1/s1
InChIKeyJCJKXYSDLBOZQP-HSZRJFAPSA-N
XLogP5.49
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.95
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-[2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 45142899
N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 39377991
N-[(4-chlorophenyl)methyl]-2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine
CID 5010881
2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]-N-[(2-fluorophenyl)methyl]ethanamine
CID 4588238
N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 41088597
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3761760
2-[acetyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161143
3-[acetyl(furan-2-ylmethyl)amino]-N-benzyl-N-phenylpropanamide
CID 113118141
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053913
N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 23796110
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 889054

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide (CID 2040503) is N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide is CC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1.
What is the InChIKey of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JCJKXYSDLBOZQP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30ClNO3/c1-18(26)25(16-20-8-6-13-27-20)12-10-23(11-14-28-22(2,3)17-23)15-19-7-4-5-9-21(19)24/h4-9,13H,10-12,14-17H2,1-3H3/t23-/m1/s1.
What are the key properties of N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide?
N-[2-[(4R)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 403.95 g/mol, XLogP of 5.49, 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-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2040503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).