5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide

C14H23N3O2 — CID 100640503

IUPAC5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
SMILESCOCCCNc1ccc(N)cc1C(=O)NC(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)17-14(18)12-9-11(15)5-6-13(12)16-7-4-8-19-3/h5-6,9-10,16H,4,7-8,15H2,1-3H3,(H,17,18)
InChIKeyOCZGMLAIHIDDRZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds7

About 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide

5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide (PubChem CID 100640503) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
PubChem CID100640503
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
SMILESCOCCCNc1ccc(N)cc1C(=O)NC(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)17-14(18)12-9-11(15)5-6-13(12)16-7-4-8-19-3/h5-6,9-10,16H,4,7-8,15H2,1-3H3,(H,17,18)
InChIKeyOCZGMLAIHIDDRZ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide
CID 100653033
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide
CID 102538173
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
propan-2-yl 5-amino-2-(butylamino)benzoate
CID 100638483
5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 100641884
1-N-(3-methoxypropyl)-2-nitrobenzene-1,4-diamine
CID 95446704
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide (CID 100640503) is 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide is COCCCNc1ccc(N)cc1C(=O)NC(C)C.
What is the InChIKey of 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide?
The InChIKey is OCZGMLAIHIDDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17-14(18)12-9-11(15)5-6-13(12)16-7-4-8-19-3/h5-6,9-10,16H,4,7-8,15H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide?
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide has a molecular weight of 265.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 100640503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).