3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide

C20H27N3O — CID 133167175

IUPAC3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(C)CCc2ccccc2)c(N)c1
InChIInChI=1S/C20H27N3O/c1-3-13-22-20(24)17-11-12-19(18(21)14-17)23-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-12,14-15,23H,3,9-10,13,21H2,1-2H3,(H,22,24)
InChIKeyNAVIAAJIBNZKBM-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.84
Rot. Bonds8

About 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide

3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide (PubChem CID 133167175) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
PubChem CID133167175
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(C)CCc2ccccc2)c(N)c1
InChIInChI=1S/C20H27N3O/c1-3-13-22-20(24)17-11-12-19(18(21)14-17)23-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-12,14-15,23H,3,9-10,13,21H2,1-2H3,(H,22,24)
InChIKeyNAVIAAJIBNZKBM-UHFFFAOYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.84
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

3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
ethyl 3-amino-4-(4-phenylbutan-2-ylamino)benzoate
CID 133240212
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100655116
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide?
The IUPAC name of 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide (CID 133167175) is 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide.
What is the SMILES notation for 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide?
The canonical SMILES for 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide is CCCNC(=O)c1ccc(NC(C)CCc2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide?
The InChIKey is NAVIAAJIBNZKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-13-22-20(24)17-11-12-19(18(21)14-17)23-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-12,14-15,23H,3,9-10,13,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide?
3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide has a molecular weight of 325.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide is sourced from PubChem (CID 133167175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).