2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide

C16H22ClNO3 — CID 114751673

IUPAC2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C16H22ClNO3/c1-15(2,21-13-5-3-12(17)4-6-13)14(20)18-11-16(7-8-16)9-10-19/h3-6,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyUDKAKXAHJJGONQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide (PubChem CID 114751673) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
PubChem CID114751673
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C16H22ClNO3/c1-15(2,21-13-5-3-12(17)4-6-13)14(20)18-11-16(7-8-16)9-10-19/h3-6,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyUDKAKXAHJJGONQ-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide (CID 114751673) is 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1(CCO)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
The InChIKey is UDKAKXAHJJGONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-15(2,21-13-5-3-12(17)4-6-13)14(20)18-11-16(7-8-16)9-10-19/h3-6,19H,7-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide has a molecular weight of 311.81 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 114751673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).