5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide

C13H21N3O — CID 100638369

IUPAC5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1NC(C)C
InChIInChI=1S/C13H21N3O/c1-8(2)15-12-6-5-10(14)7-11(12)13(17)16-9(3)4/h5-9,15H,14H2,1-4H3,(H,16,17)
InChIKeySKOAMRWPXIHMDH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.23
Rot. Bonds4

About 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide

5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide (PubChem CID 100638369) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
PubChem CID100638369
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1NC(C)C
InChIInChI=1S/C13H21N3O/c1-8(2)15-12-6-5-10(14)7-11(12)13(17)16-9(3)4/h5-9,15H,14H2,1-4H3,(H,16,17)
InChIKeySKOAMRWPXIHMDH-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.23
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-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100655207
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
CID 100646099
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240
5-amino-2-(3-chloro-4-methoxyanilino)-N-propan-2-ylbenzamide
CID 100650292
5-amino-2-(methoxymethyl)-N-propan-2-ylbenzamide
CID 102538173
5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100654208
5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 100641884
methyl 5-amino-2-(4-methoxybutan-2-ylamino)benzoate
CID 64603091
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide?
The IUPAC name of 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide (CID 100638369) is 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide?
The canonical SMILES for 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide is CC(C)NC(=O)c1cc(N)ccc1NC(C)C.
What is the InChIKey of 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide?
The InChIKey is SKOAMRWPXIHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)15-12-6-5-10(14)7-11(12)13(17)16-9(3)4/h5-9,15H,14H2,1-4H3,(H,16,17).
What are the key properties of 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide?
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 100638369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).