N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide

C22H21N3O2 — CID 6625057

IUPACN-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C22H21N3O2/c26-21(23-16-18-10-7-15-27-18)13-6-14-25-20-12-5-4-11-19(20)22(24-25)17-8-2-1-3-9-17/h1-5,7-12,15H,6,13-14,16H2,(H,23,26)
InChIKeyVNABVEKXQRHWCJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.39
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide

N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide (PubChem CID 6625057) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide
PubChem CID6625057
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C22H21N3O2/c26-21(23-16-18-10-7-15-27-18)13-6-14-25-20-12-5-4-11-19(20)22(24-25)17-8-2-1-3-9-17/h1-5,7-12,15H,6,13-14,16H2,(H,23,26)
InChIKeyVNABVEKXQRHWCJ-UHFFFAOYSA-N
XLogP4.39
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide (CID 6625057) is N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide is O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide?
The InChIKey is VNABVEKXQRHWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(23-16-18-10-7-15-27-18)13-6-14-25-20-12-5-4-11-19(20)22(24-25)17-8-2-1-3-9-17/h1-5,7-12,15H,6,13-14,16H2,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide?
N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide has a molecular weight of 359.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3-phenylindazol-1-yl)butanamide is sourced from PubChem (CID 6625057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).