N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide

C23H31N3O2 — CID 54843793

IUPACN-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
SMILESCCCCCCCNC(=O)CNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-3-4-5-9-16-24-22(27)18-25-21-14-12-20(13-15-21)23(28)26-17-19-10-7-6-8-11-19/h6-8,10-15,25H,2-5,9,16-18H2,1H3,(H,24,27)(H,26,28)
InChIKeyITOFKCKXWUMHIU-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.12
Rot. Bonds12

About N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide

N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54843793) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
PubChem CID54843793
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
SMILESCCCCCCCNC(=O)CNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-3-4-5-9-16-24-22(27)18-25-21-14-12-20(13-15-21)23(28)26-17-19-10-7-6-8-11-19/h6-8,10-15,25H,2-5,9,16-18H2,1H3,(H,24,27)(H,26,28)
InChIKeyITOFKCKXWUMHIU-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.12
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-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54844190
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-4-(propylamino)benzamide
CID 62172438
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846255
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
CID 139558708

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide (CID 54843793) is N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide is CCCCCCCNC(=O)CNc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is ITOFKCKXWUMHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-3-4-5-9-16-24-22(27)18-25-21-14-12-20(13-15-21)23(28)26-17-19-10-7-6-8-11-19/h6-8,10-15,25H,2-5,9,16-18H2,1H3,(H,24,27)(H,26,28).
What are the key properties of N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide?
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 381.52 g/mol, XLogP of 4.12, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54843793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).