2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide

C16H23ClN2O2 — CID 63056850

IUPAC2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
SMILESCC(C)(C)NCc1ccc(OCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)18-9-11-4-7-14(13(17)8-11)21-10-15(20)19-12-5-6-12/h4,7-8,12,18H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyPJBIXPPVUVISMB-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.89
Rot. Bonds6

About 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide

2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide (PubChem CID 63056850) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
PubChem CID63056850
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
SMILESCC(C)(C)NCc1ccc(OCC(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)18-9-11-4-7-14(13(17)8-11)21-10-15(20)19-12-5-6-12/h4,7-8,12,18H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyPJBIXPPVUVISMB-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-ethylacetamide
CID 63056680
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326986
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
CID 63058039
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
N-[[3-chloro-4-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 66044236
methyl 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]propanoate
CID 63949713
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626638
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 63062862
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 79168575
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide (CID 63056850) is 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide is CC(C)(C)NCc1ccc(OCC(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide?
The InChIKey is PJBIXPPVUVISMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,3)18-9-11-4-7-14(13(17)8-11)21-10-15(20)19-12-5-6-12/h4,7-8,12,18H,5-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide?
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide has a molecular weight of 310.82 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 63056850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).