4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide

C12H19N3O3 — CID 113467671

IUPAC4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(CCO)c1cc(N)ccc1C(N)=O
InChIInChI=1S/C12H19N3O3/c1-18-7-5-15(4-6-16)11-8-9(13)2-3-10(11)12(14)17/h2-3,8,16H,4-7,13H2,1H3,(H2,14,17)
InChIKeyOTNIHKAVYKXBMF-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.19
Rot. Bonds7

About 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide

4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide (PubChem CID 113467671) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
PubChem CID113467671
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(CCO)c1cc(N)ccc1C(N)=O
InChIInChI=1S/C12H19N3O3/c1-18-7-5-15(4-6-16)11-8-9(13)2-3-10(11)12(14)17/h2-3,8,16H,4-7,13H2,1H3,(H2,14,17)
InChIKeyOTNIHKAVYKXBMF-UHFFFAOYSA-N
XLogP-0.19
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.19
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

5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide
CID 55221201
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 55136103
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid
CID 61235629
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
CID 54969050
3-fluoro-4-[2-hydroxyethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 113467773
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
1-(2,4-diaminophenyl)-3-methoxypropan-1-one
CID 141196079

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide?
The IUPAC name of 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide (CID 113467671) is 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide.
What is the SMILES notation for 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide?
The canonical SMILES for 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide is COCCN(CCO)c1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide?
The InChIKey is OTNIHKAVYKXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-7-5-15(4-6-16)11-8-9(13)2-3-10(11)12(14)17/h2-3,8,16H,4-7,13H2,1H3,(H2,14,17).
What are the key properties of 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide?
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide has a molecular weight of 253.30 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide is sourced from PubChem (CID 113467671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).