N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide

C11H16N2O2 — CID 63755124

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1CN
InChIInChI=1S/C11H16N2O2/c1-3-15-11-5-4-10(13-8(2)14)6-9(11)7-12/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyXORDPMQZJBUBHE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.50
Rot. Bonds4

About N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide

N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide (PubChem CID 63755124) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
PubChem CID63755124
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1CN
InChIInChI=1S/C11H16N2O2/c1-3-15-11-5-4-10(13-8(2)14)6-9(11)7-12/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyXORDPMQZJBUBHE-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
CID 63755308
N-[3-(aminomethyl)-4-ethoxyphenyl]-6-methylpyridine-2-carboxamide
CID 63755297
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
CID 114467010
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
CID 65159293
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-acetyl-3-(aminomethyl)phenyl]acetamide
CID 150539337
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide (CID 63755124) is N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(C)=O)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide?
The InChIKey is XORDPMQZJBUBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11-5-4-10(13-8(2)14)6-9(11)7-12/h4-6H,3,7,12H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide?
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide has a molecular weight of 208.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 63755124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).