N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide

C13H19NO2 — CID 66916731

IUPACN-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
SMILESCCc1cc(NC(C)=O)ccc1OC(C)C
InChIInChI=1S/C13H19NO2/c1-5-11-8-12(14-10(4)15)6-7-13(11)16-9(2)3/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyDXFVACLEPBLCFJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.99
Rot. Bonds4

About N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide

N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide (PubChem CID 66916731) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
PubChem CID66916731
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
SMILESCCc1cc(NC(C)=O)ccc1OC(C)C
InChIInChI=1S/C13H19NO2/c1-5-11-8-12(14-10(4)15)6-7-13(11)16-9(2)3/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyDXFVACLEPBLCFJ-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
(2R)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 94027173
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-[3-propan-2-yloxy-4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 91564135
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
CID 142628351
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide (CID 66916731) is N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide is CCc1cc(NC(C)=O)ccc1OC(C)C.
What is the InChIKey of N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide?
The InChIKey is DXFVACLEPBLCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-11-8-12(14-10(4)15)6-7-13(11)16-9(2)3/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide?
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 66916731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).