N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide

C18H21N5O2 — CID 13203418

IUPACN-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
SMILESCN(Cc1ccco1)C(=O)CCCCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-22(14-16-10-7-13-25-16)18(24)12-6-5-11-17-19-20-21-23(17)15-8-3-2-4-9-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyNJPHUSWTMANCHP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.63
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide

N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide (PubChem CID 13203418) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
PubChem CID13203418
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
SMILESCN(Cc1ccco1)C(=O)CCCCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-22(14-16-10-7-13-25-16)18(24)12-6-5-11-17-19-20-21-23(17)15-8-3-2-4-9-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyNJPHUSWTMANCHP-UHFFFAOYSA-N
XLogP2.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295614
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
N-(3,4-dimethylcyclohexyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295331
N,N-dicyclohexyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 21295615
N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 30552387
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
N-cyclohexyl-N-ethyl-4-(1-phenyltetrazol-5-yl)butanamide
CID 13208293
5-butyl-1-phenyltetrazole
CID 69031432
N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide
CID 71978200
4-(1-phenyltetrazol-5-yl)butanethioamide
CID 54231747
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 37285792

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide (CID 13203418) is N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide is CN(Cc1ccco1)C(=O)CCCCc1nnnn1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The InChIKey is NJPHUSWTMANCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22(14-16-10-7-13-25-16)18(24)12-6-5-11-17-19-20-21-23(17)15-8-3-2-4-9-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide?
N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide has a molecular weight of 339.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide is sourced from PubChem (CID 13203418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).