2-(benzylamino)-N-butylbenzamide

C18H22N2O — CID 86102037

IUPAC2-(benzylamino)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-3-13-19-18(21)16-11-7-8-12-17(16)20-14-15-9-5-4-6-10-15/h4-12,20H,2-3,13-14H2,1H3,(H,19,21)
InChIKeyWXRSBPGOVHDSDV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.83
Rot. Bonds7

About 2-(benzylamino)-N-butylbenzamide

2-(benzylamino)-N-butylbenzamide (PubChem CID 86102037) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(benzylamino)-N-butylbenzamide.

Molecular Properties

Compound Name2-(benzylamino)-N-butylbenzamide
PubChem CID86102037
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(benzylamino)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1NCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-3-13-19-18(21)16-11-7-8-12-17(16)20-14-15-9-5-4-6-10-15/h4-12,20H,2-3,13-14H2,1H3,(H,19,21)
InChIKeyWXRSBPGOVHDSDV-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
CID 75436256
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
N-butyl-2-(prop-2-enylamino)benzamide
CID 71540981
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
N-butyl-2-phenylbenzamide
CID 21064565
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
2-(benzylamino)-N-[4-(quinolin-4-ylamino)butyl]benzamide
CID 162368751
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-butylbenzamide?
The IUPAC name of 2-(benzylamino)-N-butylbenzamide (CID 86102037) is 2-(benzylamino)-N-butylbenzamide.
What is the SMILES notation for 2-(benzylamino)-N-butylbenzamide?
The canonical SMILES for 2-(benzylamino)-N-butylbenzamide is CCCCNC(=O)c1ccccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-butylbenzamide?
The InChIKey is WXRSBPGOVHDSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-3-13-19-18(21)16-11-7-8-12-17(16)20-14-15-9-5-4-6-10-15/h4-12,20H,2-3,13-14H2,1H3,(H,19,21).
What are the key properties of 2-(benzylamino)-N-butylbenzamide?
2-(benzylamino)-N-butylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-butylbenzamide is sourced from PubChem (CID 86102037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).