N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

C12H19N3O3 — CID 54879538

IUPACN-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CCO)c(N)c1
InChIInChI=1S/C12H19N3O3/c1-15(5-6-16)8-12(17)14-11-4-3-9(18-2)7-10(11)13/h3-4,7,16H,5-6,8,13H2,1-2H3,(H,14,17)
InChIKeyKGPGOFFUEKMRLQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.14
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide

N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 54879538) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID54879538
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CCO)c(N)c1
InChIInChI=1S/C12H19N3O3/c1-15(5-6-16)8-12(17)14-11-4-3-9(18-2)7-10(11)13/h3-4,7,16H,5-6,8,13H2,1-2H3,(H,14,17)
InChIKeyKGPGOFFUEKMRLQ-UHFFFAOYSA-N
XLogP0.14
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-methoxyphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444830
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
N-(2-amino-4-methoxyphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568691
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide
CID 43296339
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 54879538) is N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is COc1ccc(NC(=O)CN(C)CCO)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is KGPGOFFUEKMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(5-6-16)8-12(17)14-11-4-3-9(18-2)7-10(11)13/h3-4,7,16H,5-6,8,13H2,1-2H3,(H,14,17).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 54879538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).