5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide

C14H23N3O — CID 100639026

IUPAC5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC[C@@H](C)Nc1ccc(N)cc1C(=O)NC(C)C
InChIInChI=1S/C14H23N3O/c1-5-10(4)17-13-7-6-11(15)8-12(13)14(18)16-9(2)3/h6-10,17H,5,15H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyZQROHOHDDMEERA-SNVBAGLBSA-N
MW249.36 g/mol
LogP2.62
Rot. Bonds5

About 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide

5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 100639026) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
PubChem CID100639026
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC[C@@H](C)Nc1ccc(N)cc1C(=O)NC(C)C
InChIInChI=1S/C14H23N3O/c1-5-10(4)17-13-7-6-11(15)8-12(13)14(18)16-9(2)3/h6-10,17H,5,15H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyZQROHOHDDMEERA-SNVBAGLBSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100655207
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735
5-amino-N-ethyl-2-[[(2R)-pentan-2-yl]amino]benzamide
CID 100653834
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
methyl 5-amino-2-(4-methoxybutan-2-ylamino)benzoate
CID 64603091
5-amino-2-(pentan-3-ylamino)benzoic acid
CID 60989133
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide (CID 100639026) is 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide is CC[C@@H](C)Nc1ccc(N)cc1C(=O)NC(C)C.
What is the InChIKey of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ZQROHOHDDMEERA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-10(4)17-13-7-6-11(15)8-12(13)14(18)16-9(2)3/h6-10,17H,5,15H2,1-4H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide?
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 100639026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).