N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide

C16H25N3O2 — CID 62178281

IUPACN-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
SMILESCCCNC(=O)CCNC(=O)c1ccccc1NCCC
InChIInChI=1S/C16H25N3O2/c1-3-10-17-14-8-6-5-7-13(14)16(21)19-12-9-15(20)18-11-4-2/h5-8,17H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUYULBVHLXXYVNG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.15
Rot. Bonds9

About N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide

N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide (PubChem CID 62178281) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
PubChem CID62178281
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
SMILESCCCNC(=O)CCNC(=O)c1ccccc1NCCC
InChIInChI=1S/C16H25N3O2/c1-3-10-17-14-8-6-5-7-13(14)16(21)19-12-9-15(20)18-11-4-2/h5-8,17H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUYULBVHLXXYVNG-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
2-hydrazinyl-N-propylbenzamide
CID 62238054
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide?
The IUPAC name of N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide (CID 62178281) is N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide?
The canonical SMILES for N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide is CCCNC(=O)CCNC(=O)c1ccccc1NCCC.
What is the InChIKey of N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide?
The InChIKey is UYULBVHLXXYVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-10-17-14-8-6-5-7-13(14)16(21)19-12-9-15(20)18-11-4-2/h5-8,17H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide?
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide is sourced from PubChem (CID 62178281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).