N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide

C13H21N3O — CID 63107952

IUPACN-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCCCN
InChIInChI=1S/C13H21N3O/c1-10(2)16-12-7-4-3-6-11(12)13(17)15-9-5-8-14/h3-4,6-7,10,16H,5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyUOKAYBUXIJTFHY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds6

About N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide

N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide (PubChem CID 63107952) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
PubChem CID63107952
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCCCN
InChIInChI=1S/C13H21N3O/c1-10(2)16-12-7-4-3-6-11(12)13(17)15-9-5-8-14/h3-4,6-7,10,16H,5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyUOKAYBUXIJTFHY-UHFFFAOYSA-N
XLogP1.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide (CID 63107952) is N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is UOKAYBUXIJTFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)16-12-7-4-3-6-11(12)13(17)15-9-5-8-14/h3-4,6-7,10,16H,5,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide?
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63107952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).