2-amino-3-(4-propan-2-yloxybutylamino)benzamide

C14H23N3O2 — CID 114137384

IUPAC2-amino-3-(4-propan-2-yloxybutylamino)benzamide
SMILESCC(C)OCCCCNc1cccc(C(N)=O)c1N
InChIInChI=1S/C14H23N3O2/c1-10(2)19-9-4-3-8-17-12-7-5-6-11(13(12)15)14(16)18/h5-7,10,17H,3-4,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyDBFNHDBIEWAKMO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds8

About 2-amino-3-(4-propan-2-yloxybutylamino)benzamide

2-amino-3-(4-propan-2-yloxybutylamino)benzamide (PubChem CID 114137384) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-3-(4-propan-2-yloxybutylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(4-propan-2-yloxybutylamino)benzamide
PubChem CID114137384
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-amino-3-(4-propan-2-yloxybutylamino)benzamide
SMILESCC(C)OCCCCNc1cccc(C(N)=O)c1N
InChIInChI=1S/C14H23N3O2/c1-10(2)19-9-4-3-8-17-12-7-5-6-11(13(12)15)14(16)18/h5-7,10,17H,3-4,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyDBFNHDBIEWAKMO-UHFFFAOYSA-N
XLogP1.98
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.98
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

2-(2-propan-2-yloxyethylamino)benzamide
CID 141361883
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106007000
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114129004
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide
CID 69161570
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2-ethylsulfanyl-6-(4-propan-2-yloxybutylamino)benzenecarbothioamide
CID 106010213
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
CID 114126621

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-propan-2-yloxybutylamino)benzamide?
The IUPAC name of 2-amino-3-(4-propan-2-yloxybutylamino)benzamide (CID 114137384) is 2-amino-3-(4-propan-2-yloxybutylamino)benzamide.
What is the SMILES notation for 2-amino-3-(4-propan-2-yloxybutylamino)benzamide?
The canonical SMILES for 2-amino-3-(4-propan-2-yloxybutylamino)benzamide is CC(C)OCCCCNc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(4-propan-2-yloxybutylamino)benzamide?
The InChIKey is DBFNHDBIEWAKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)19-9-4-3-8-17-12-7-5-6-11(13(12)15)14(16)18/h5-7,10,17H,3-4,8-9,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-3-(4-propan-2-yloxybutylamino)benzamide?
2-amino-3-(4-propan-2-yloxybutylamino)benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-propan-2-yloxybutylamino)benzamide is sourced from PubChem (CID 114137384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).