N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide

C20H23N5O — CID 30295231

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1nnnn1C1CCCCC1
InChIInChI=1S/C20H23N5O/c26-20(13-16-9-6-8-15-7-4-5-12-18(15)16)21-14-19-22-23-24-25(19)17-10-2-1-3-11-17/h4-9,12,17H,1-3,10-11,13-14H2,(H,21,26)
InChIKeySVNJLFIIRCNXMD-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.19
Rot. Bonds5

About N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide

N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide (PubChem CID 30295231) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
PubChem CID30295231
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1nnnn1C1CCCCC1
InChIInChI=1S/C20H23N5O/c26-20(13-16-9-6-8-15-7-4-5-12-18(15)16)21-14-19-22-23-24-25(19)17-10-2-1-3-11-17/h4-9,12,17H,1-3,10-11,13-14H2,(H,21,26)
InChIKeySVNJLFIIRCNXMD-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 30295473
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 30295515
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295905
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842
[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
CID 30295899
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 30295463
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide (CID 30295231) is N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCc1nnnn1C1CCCCC1.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is SVNJLFIIRCNXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(13-16-9-6-8-15-7-4-5-12-18(15)16)21-14-19-22-23-24-25(19)17-10-2-1-3-11-17/h4-9,12,17H,1-3,10-11,13-14H2,(H,21,26).
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide?
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 349.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 30295231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).