5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide

C14H23N3O2 — CID 100638798

IUPAC5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1NCC(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)9-17-13-5-4-11(15)8-12(13)14(18)16-6-7-19-3/h4-5,8,10,17H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyOPSBXVTYQNWECQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.71
Rot. Bonds7

About 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide

5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide (PubChem CID 100638798) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
PubChem CID100638798
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
SMILESCOCCNC(=O)c1cc(N)ccc1NCC(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)9-17-13-5-4-11(15)8-12(13)14(18)16-6-7-19-3/h4-5,8,10,17H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyOPSBXVTYQNWECQ-UHFFFAOYSA-N
XLogP1.71
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598
methyl 5-amino-2-(2-methylpropylamino)benzoate
CID 61312657
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
CID 100647300
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665
5-amino-2-(cyclooctylamino)-N-(2-methoxyethyl)benzamide
CID 100655411
5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide
CID 163231497
[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100638822

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide (CID 100638798) is 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide is COCCNC(=O)c1cc(N)ccc1NCC(C)C.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide?
The InChIKey is OPSBXVTYQNWECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)9-17-13-5-4-11(15)8-12(13)14(18)16-6-7-19-3/h4-5,8,10,17H,6-7,9,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide?
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide is sourced from PubChem (CID 100638798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).