3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide

C13H19N3O — CID 63990338

IUPAC3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide
SMILESCC(CC1CC1)Nc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O/c1-8(6-9-2-3-9)16-12-5-4-10(13(15)17)7-11(12)14/h4-5,7-9,16H,2-3,6,14H2,1H3,(H2,15,17)
InChIKeyJRHVLVWUTAQIJT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds5

About 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide

3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide (PubChem CID 63990338) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide
PubChem CID63990338
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide
SMILESCC(CC1CC1)Nc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O/c1-8(6-9-2-3-9)16-12-5-4-10(13(15)17)7-11(12)14/h4-5,7-9,16H,2-3,6,14H2,1H3,(H2,15,17)
InChIKeyJRHVLVWUTAQIJT-UHFFFAOYSA-N
XLogP1.97
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.97
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-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
CID 115928738
2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
CID 63996582
3-chloro-4-(1-cyclopropylpropan-2-ylamino)benzoic acid
CID 63995015
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
3-(1-cyclopropylpropan-2-ylamino)-2-methylbenzamide
CID 115928848
1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine
CID 66093989
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
tert-butyl N-[4-(2-amino-4-carbamoylanilino)pentyl]carbamate
CID 164903401
3-amino-4-(ethylamino)benzamide
CID 43448330

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide?
The IUPAC name of 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide (CID 63990338) is 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide.
What is the SMILES notation for 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide?
The canonical SMILES for 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide is CC(CC1CC1)Nc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide?
The InChIKey is JRHVLVWUTAQIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(6-9-2-3-9)16-12-5-4-10(13(15)17)7-11(12)14/h4-5,7-9,16H,2-3,6,14H2,1H3,(H2,15,17).
What are the key properties of 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide?
3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide is sourced from PubChem (CID 63990338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).