2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide

C16H25ClN2O2 — CID 60908333

IUPAC2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(N)Cc1cc(Cl)ccc1OCC(=O)NC(C)CC
InChIInChI=1S/C16H25ClN2O2/c1-4-11(3)19-16(20)10-21-15-7-6-13(17)8-12(15)9-14(18)5-2/h6-8,11,14H,4-5,9-10,18H2,1-3H3,(H,19,20)
InChIKeyPXWPWRQTFYIGLK-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.91
Rot. Bonds8

About 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide

2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide (PubChem CID 60908333) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
PubChem CID60908333
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(N)Cc1cc(Cl)ccc1OCC(=O)NC(C)CC
InChIInChI=1S/C16H25ClN2O2/c1-4-11(3)19-16(20)10-21-15-7-6-13(17)8-12(15)9-14(18)5-2/h6-8,11,14H,4-5,9-10,18H2,1-3H3,(H,19,20)
InChIKeyPXWPWRQTFYIGLK-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60906880
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
CID 107700699
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
(E)-3-[2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorophenyl]prop-2-enoic acid
CID 43324972

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide (CID 60908333) is 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide is CCC(N)Cc1cc(Cl)ccc1OCC(=O)NC(C)CC.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide?
The InChIKey is PXWPWRQTFYIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-11(3)19-16(20)10-21-15-7-6-13(17)8-12(15)9-14(18)5-2/h6-8,11,14H,4-5,9-10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide?
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide has a molecular weight of 312.84 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 60908333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).