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

C14H23N3O — CID 100639001

IUPAC5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1N[C@H](C)CC
InChIInChI=1S/C14H23N3O/c1-4-8-16-14(18)12-9-11(15)6-7-13(12)17-10(3)5-2/h6-7,9-10,17H,4-5,8,15H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeySNNZWLNFXAOAMZ-SNVBAGLBSA-N
MW249.36 g/mol
LogP2.62
Rot. Bonds6

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

5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide (PubChem CID 100639001) 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-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
PubChem CID100639001
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1N[C@H](C)CC
InChIInChI=1S/C14H23N3O/c1-4-8-16-14(18)12-9-11(15)6-7-13(12)17-10(3)5-2/h6-7,9-10,17H,4-5,8,15H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeySNNZWLNFXAOAMZ-SNVBAGLBSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
5-amino-N-ethyl-2-[[(2R)-pentan-2-yl]amino]benzamide
CID 100653834
5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 61478582
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
5-amino-2-(2-ethylanilino)-N-propylbenzamide
CID 100643869
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-2-(2-fluoroanilino)-N-propylbenzamide
CID 100644644

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide?
The IUPAC name of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide (CID 100639001) is 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide?
The canonical SMILES for 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide is CCCNC(=O)c1cc(N)ccc1N[C@H](C)CC.
What is the InChIKey of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide?
The InChIKey is SNNZWLNFXAOAMZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-8-16-14(18)12-9-11(15)6-7-13(12)17-10(3)5-2/h6-7,9-10,17H,4-5,8,15H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide?
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 2.62, 6 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-propylbenzamide is sourced from PubChem (CID 100639001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).