3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide

C15H26N4O — CID 115934739

IUPAC3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide
SMILESCC(C)N(C)CCCCNc1c(N)cccc1C(N)=O
InChIInChI=1S/C15H26N4O/c1-11(2)19(3)10-5-4-9-18-14-12(15(17)20)7-6-8-13(14)16/h6-8,11,18H,4-5,9-10,16H2,1-3H3,(H2,17,20)
InChIKeyWEITVBMKDUINFH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds8

About 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide

3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide (PubChem CID 115934739) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide
PubChem CID115934739
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide
SMILESCC(C)N(C)CCCCNc1c(N)cccc1C(N)=O
InChIInChI=1S/C15H26N4O/c1-11(2)19(3)10-5-4-9-18-14-12(15(17)20)7-6-8-13(14)16/h6-8,11,18H,4-5,9-10,16H2,1-3H3,(H2,17,20)
InChIKeyWEITVBMKDUINFH-UHFFFAOYSA-N
XLogP1.90
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(5,5,5-trifluoropentylamino)benzamide
CID 112579360
3-amino-2-[3-(cyclopropylmethoxy)propylamino]benzamide
CID 114098632
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
methyl 3-amino-2-[3-(diethylamino)propylamino]benzoate
CID 115933991
ethyl 3-amino-2-(octylamino)benzoate
CID 115935432
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
CID 113406427
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
3-amino-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 112579002
3-[4-[methyl(propan-2-yl)amino]butylamino]benzoic acid
CID 102822571
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-2-nitrobenzamide
CID 106050162

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide?
The IUPAC name of 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide (CID 115934739) is 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide.
What is the SMILES notation for 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide?
The canonical SMILES for 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide is CC(C)N(C)CCCCNc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide?
The InChIKey is WEITVBMKDUINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19(3)10-5-4-9-18-14-12(15(17)20)7-6-8-13(14)16/h6-8,11,18H,4-5,9-10,16H2,1-3H3,(H2,17,20).
What are the key properties of 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide?
3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide has a molecular weight of 278.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-[methyl(propan-2-yl)amino]butylamino]benzamide is sourced from PubChem (CID 115934739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).