N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide

C18H22N2O3 — CID 110880183

IUPACN-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1cccc(CO)c1
InChIInChI=1S/C18H22N2O3/c1-3-23-17-10-5-4-9-16(17)20-18(22)13(2)19-15-8-6-7-14(11-15)12-21/h4-11,13,19,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyMBTIEXJCEXGPGC-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.02
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide

N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide (PubChem CID 110880183) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
PubChem CID110880183
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1cccc(CO)c1
InChIInChI=1S/C18H22N2O3/c1-3-23-17-10-5-4-9-16(17)20-18(22)13(2)19-15-8-6-7-14(11-15)12-21/h4-11,13,19,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyMBTIEXJCEXGPGC-UHFFFAOYSA-N
XLogP3.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
(2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(2-ethoxyphenyl)propanamide
CID 37304550
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 55684249
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide (CID 110880183) is N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide is CCOc1ccccc1NC(=O)C(C)Nc1cccc(CO)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The InChIKey is MBTIEXJCEXGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-17-10-5-4-9-16(17)20-18(22)13(2)19-15-8-6-7-14(11-15)12-21/h4-11,13,19,21H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 110880183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).