5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide

C20H27N3O — CID 100654208

IUPAC5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-4-5-6-15-7-10-17(11-8-15)23-19-12-9-16(21)13-18(19)20(24)22-14(2)3/h7-14,23H,4-6,21H2,1-3H3,(H,22,24)
InChIKeyCFGJRSVCJSLYTK-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.49
Rot. Bonds7

About 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide

5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide (PubChem CID 100654208) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
PubChem CID100654208
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-4-5-6-15-7-10-17(11-8-15)23-19-12-9-16(21)13-18(19)20(24)22-14(2)3/h7-14,23H,4-6,21H2,1-3H3,(H,22,24)
InChIKeyCFGJRSVCJSLYTK-UHFFFAOYSA-N
XLogP4.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100635916
5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
CID 100646099
5-amino-2-(4-propylanilino)benzamide
CID 61305335
5-amino-2-(3-chloro-4-methoxyanilino)-N-propan-2-ylbenzamide
CID 100650292
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
ethyl 5-amino-2-(4-ethylanilino)benzoate
CID 63425348
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100655207
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide (CID 100654208) is 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide is CCCCc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1.
What is the InChIKey of 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide?
The InChIKey is CFGJRSVCJSLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-5-6-15-7-10-17(11-8-15)23-19-12-9-16(21)13-18(19)20(24)22-14(2)3/h7-14,23H,4-6,21H2,1-3H3,(H,22,24).
What are the key properties of 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide?
5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide has a molecular weight of 325.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 100654208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).