2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide

C13H17N3O3 — CID 107074114

IUPAC2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H17N3O3/c1-16(7-12(18)15-8-2-3-8)13(19)10-6-9(17)4-5-11(10)14/h4-6,8,17H,2-3,7,14H2,1H3,(H,15,18)
InChIKeyMGIGOPBHBHMPQL-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.32
Rot. Bonds4

About 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide

2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide (PubChem CID 107074114) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
PubChem CID107074114
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H17N3O3/c1-16(7-12(18)15-8-2-3-8)13(19)10-6-9(17)4-5-11(10)14/h4-6,8,17H,2-3,7,14H2,1H3,(H,15,18)
InChIKeyMGIGOPBHBHMPQL-UHFFFAOYSA-N
XLogP0.32
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 43572549
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 78808882
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65358130
2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107074115

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide (CID 107074114) is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide is CN(CC(=O)NC1CC1)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
The InChIKey is MGIGOPBHBHMPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(7-12(18)15-8-2-3-8)13(19)10-6-9(17)4-5-11(10)14/h4-6,8,17H,2-3,7,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide has a molecular weight of 263.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107074114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).