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

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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).