2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide

C13H20N2O2 — CID 115260110

IUPAC2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
SMILESCC(C)Oc1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-12-5-3-11(4-6-12)7-8-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeySFCOTRQKEAUNPP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide

2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide (PubChem CID 115260110) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
PubChem CID115260110
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
SMILESCC(C)Oc1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-12-5-3-11(4-6-12)7-8-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeySFCOTRQKEAUNPP-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115180759
2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
CID 115203390
3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115260140
3-[2-(4-propan-2-yloxyphenyl)ethylamino]propane-1-thiol
CID 115225125
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
2-[2-(6-methylnaphthalen-2-yl)ethylamino]acetamide
CID 115260174

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide?
The IUPAC name of 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide (CID 115260110) is 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide is CC(C)Oc1ccc(CCNCC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide?
The InChIKey is SFCOTRQKEAUNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)17-12-5-3-11(4-6-12)7-8-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide?
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 115260110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).