2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide

C16H22ClNO2 — CID 91915472

IUPAC2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCOC1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-2-7-18(11-14-6-8-20-12-14)16(19)10-13-4-3-5-15(17)9-13/h3-5,9,14H,2,6-8,10-12H2,1H3
InChIKeyVRFRPKNTJTWQDI-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.16
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide

2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide (PubChem CID 91915472) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide
PubChem CID91915472
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCOC1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-2-7-18(11-14-6-8-20-12-14)16(19)10-13-4-3-5-15(17)9-13/h3-5,9,14H,2,6-8,10-12H2,1H3
InChIKeyVRFRPKNTJTWQDI-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide (CID 91915472) is 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide is CCCN(CC1CCOC1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
The InChIKey is VRFRPKNTJTWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-7-18(11-14-6-8-20-12-14)16(19)10-13-4-3-5-15(17)9-13/h3-5,9,14H,2,6-8,10-12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide?
2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide has a molecular weight of 295.81 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 91915472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).