N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide

C16H26N2O3 — CID 81399723

IUPACN-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide
SMILESCCC(CC)(CO)CNc1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2,11-19)10-17-13-7-8-14(18-12(3)20)15(9-13)21-4/h7-9,17,19H,5-6,10-11H2,1-4H3,(H,18,20)
InChIKeyQITOLEIAAWCZFN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.86
Rot. Bonds8

About N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide

N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide (PubChem CID 81399723) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide
PubChem CID81399723
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide
SMILESCCC(CC)(CO)CNc1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2,11-19)10-17-13-7-8-14(18-12(3)20)15(9-13)21-4/h7-9,17,19H,5-6,10-11H2,1-4H3,(H,18,20)
InChIKeyQITOLEIAAWCZFN-UHFFFAOYSA-N
XLogP2.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-methoxybenzonitrile
CID 104848351
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
CID 94641742
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974
N-[2-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633701
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
N-[2-methoxy-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 80711477

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide (CID 81399723) is N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide is CCC(CC)(CO)CNc1ccc(NC(C)=O)c(OC)c1.
What is the InChIKey of N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide?
The InChIKey is QITOLEIAAWCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-16(6-2,11-19)10-17-13-7-8-14(18-12(3)20)15(9-13)21-4/h7-9,17,19H,5-6,10-11H2,1-4H3,(H,18,20).
What are the key properties of N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide?
N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 81399723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).