N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide

C13H20N2O3 — CID 112514082

IUPACN-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide
SMILESCCNCC(O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-14-8-12(17)11-7-10(15-9(2)16)5-6-13(11)18-3/h5-7,12,14,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyBZJNJIFJTFJFPF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.30
Rot. Bonds6

About N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide

N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide (PubChem CID 112514082) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide
PubChem CID112514082
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide
SMILESCCNCC(O)c1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-14-8-12(17)11-7-10(15-9(2)16)5-6-13(11)18-3/h5-7,12,14,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyBZJNJIFJTFJFPF-UHFFFAOYSA-N
XLogP1.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
3-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 55122876
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853227
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide
CID 22457109
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
CID 21453600

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide (CID 112514082) is N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide is CCNCC(O)c1cc(NC(C)=O)ccc1OC.
What is the InChIKey of N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide?
The InChIKey is BZJNJIFJTFJFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-14-8-12(17)11-7-10(15-9(2)16)5-6-13(11)18-3/h5-7,12,14,17H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide?
N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-1-hydroxyethyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 112514082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).