4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide

C14H17N3O2 — CID 63356356

IUPAC4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
SMILESCC(Cc1ccco1)Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C14H17N3O2/c1-9(7-11-3-2-6-19-11)17-13-8-10(14(16)18)4-5-12(13)15/h2-6,8-9,17H,7,15H2,1H3,(H2,16,18)
InChIKeyHPLTYYMCSYXVOZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.00
Rot. Bonds5

About 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide

4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide (PubChem CID 63356356) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
PubChem CID63356356
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
SMILESCC(Cc1ccco1)Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C14H17N3O2/c1-9(7-11-3-2-6-19-11)17-13-8-10(14(16)18)4-5-12(13)15/h2-6,8-9,17H,7,15H2,1H3,(H2,16,18)
InChIKeyHPLTYYMCSYXVOZ-UHFFFAOYSA-N
XLogP2.00
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935
3-amino-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 61471368
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
4-[1-(furan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 62709297
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
CID 102664181
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The IUPAC name of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide (CID 63356356) is 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide.
What is the SMILES notation for 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The canonical SMILES for 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide is CC(Cc1ccco1)Nc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The InChIKey is HPLTYYMCSYXVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(7-11-3-2-6-19-11)17-13-8-10(14(16)18)4-5-12(13)15/h2-6,8-9,17H,7,15H2,1H3,(H2,16,18).
What are the key properties of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide?
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide is sourced from PubChem (CID 63356356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).