2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide

C16H23ClN2O2 — CID 115958552

IUPAC2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cccc(Cl)c1OC(C)C(=O)NC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-12(18)9-11-5-4-6-14(17)15(11)21-10(2)16(20)19-13-7-8-13/h4-6,10,12-13H,3,7-9,18H2,1-2H3,(H,19,20)
InChIKeyOPNHRUDKMRGZNI-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.67
Rot. Bonds7

About 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide

2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide (PubChem CID 115958552) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
PubChem CID115958552
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cccc(Cl)c1OC(C)C(=O)NC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-12(18)9-11-5-4-6-14(17)15(11)21-10(2)16(20)19-13-7-8-13/h4-6,10,12-13H,3,7-9,18H2,1-2H3,(H,19,20)
InChIKeyOPNHRUDKMRGZNI-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 115958256
2-[2-(2-aminobutyl)-6-bromophenoxy]-N-cyclopropylpropanamide
CID 61392465
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
CID 115958175
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
CID 107701322
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
N-cyclopropyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide (CID 115958552) is 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide is CCC(N)Cc1cccc(Cl)c1OC(C)C(=O)NC1CC1.
What is the InChIKey of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide?
The InChIKey is OPNHRUDKMRGZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-12(18)9-11-5-4-6-14(17)15(11)21-10(2)16(20)19-13-7-8-13/h4-6,10,12-13H,3,7-9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide?
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide has a molecular weight of 310.83 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 115958552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).