N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide

C19H23N5O2 — CID 46986640

IUPACN-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCCCCN(Cc1ccco1)C(=O)c1ccc(Cn2nnnc2C)cc1
InChIInChI=1S/C19H23N5O2/c1-3-4-11-23(14-18-6-5-12-26-18)19(25)17-9-7-16(8-10-17)13-24-15(2)20-21-22-24/h5-10,12H,3-4,11,13-14H2,1-2H3
InChIKeyPFUWMMACKPDAMQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.07
Rot. Bonds8

About N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide

N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide (PubChem CID 46986640) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
PubChem CID46986640
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCCCCN(Cc1ccco1)C(=O)c1ccc(Cn2nnnc2C)cc1
InChIInChI=1S/C19H23N5O2/c1-3-4-11-23(14-18-6-5-12-26-18)19(25)17-9-7-16(8-10-17)13-24-15(2)20-21-22-24/h5-10,12H,3-4,11,13-14H2,1-2H3
InChIKeyPFUWMMACKPDAMQ-UHFFFAOYSA-N
XLogP3.07
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062
4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3980417
N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923929
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 50978093
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 3936154
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide (CID 46986640) is N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide is CCCCN(Cc1ccco1)C(=O)c1ccc(Cn2nnnc2C)cc1.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The InChIKey is PFUWMMACKPDAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-4-11-23(14-18-6-5-12-26-18)19(25)17-9-7-16(8-10-17)13-24-15(2)20-21-22-24/h5-10,12H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide has a molecular weight of 353.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 46986640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).