N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide

C19H30N2O2 — CID 97045582

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESCC1(C)C[C@@H](NC(=O)CC2(n3cccc3)CCCCC2)CCO1
InChIInChI=1S/C19H30N2O2/c1-18(2)14-16(8-13-23-18)20-17(22)15-19(9-4-3-5-10-19)21-11-6-7-12-21/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyZCLZODKSRZEXNU-INIZCTEOSA-N
MW318.46 g/mol
LogP3.61
Rot. Bonds4

About N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide

N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide (PubChem CID 97045582) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
PubChem CID97045582
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESCC1(C)C[C@@H](NC(=O)CC2(n3cccc3)CCCCC2)CCO1
InChIInChI=1S/C19H30N2O2/c1-18(2)14-16(8-13-23-18)20-17(22)15-19(9-4-3-5-10-19)21-11-6-7-12-21/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyZCLZODKSRZEXNU-INIZCTEOSA-N
XLogP3.61
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide (CID 97045582) is N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide is CC1(C)C[C@@H](NC(=O)CC2(n3cccc3)CCCCC2)CCO1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The InChIKey is ZCLZODKSRZEXNU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2)14-16(8-13-23-18)20-17(22)15-19(9-4-3-5-10-19)21-11-6-7-12-21/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 97045582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).