3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C18H24N4O2 — CID 111058452

IUPAC3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)CN/C(N)=N/Cc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)10-21-18(19)22-11-14-5-3-6-15(9-14)17(23)20-12-16-7-4-8-24-16/h3-9,13H,10-12H2,1-2H3,(H,20,23)(H3,19,21,22)
InChIKeyNLCNGXHYXNYVCW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds7

About 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 111058452) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID111058452
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(C)CN/C(N)=N/Cc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H24N4O2/c1-13(2)10-21-18(19)22-11-14-5-3-6-15(9-14)17(23)20-12-16-7-4-8-24-16/h3-9,13H,10-12H2,1-2H3,(H,20,23)(H3,19,21,22)
InChIKeyNLCNGXHYXNYVCW-UHFFFAOYSA-N
XLogP2.27
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111058475
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 75532942
3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide;hydroiodide
CID 111058531
N-ethyl-3-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110937719
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111236542
3-[[[ethylamino-(2-methoxyethylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110939930
3-[[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111401996
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[[[ethylamino-(3-methoxypropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110973969
3-[[[ethylamino-[(4-methoxyphenyl)methylamino]methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111181803

Frequently Asked Questions

What is the IUPAC name of 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 111058452) is 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide is CC(C)CN/C(N)=N/Cc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is NLCNGXHYXNYVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)10-21-18(19)22-11-14-5-3-6-15(9-14)17(23)20-12-16-7-4-8-24-16/h3-9,13H,10-12H2,1-2H3,(H,20,23)(H3,19,21,22).
What are the key properties of 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 111058452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).