N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide

C16H21N5O2 — CID 30295335

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H21N5O2/c1-2-23-14-9-7-12(8-10-14)16(22)17-11-15-18-19-20-21(15)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22)
InChIKeyBVKMRYIEBZUWDR-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.12
Rot. Bonds6

About N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide (PubChem CID 30295335) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
PubChem CID30295335
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H21N5O2/c1-2-23-14-9-7-12(8-10-14)16(22)17-11-15-18-19-20-21(15)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22)
InChIKeyBVKMRYIEBZUWDR-UHFFFAOYSA-N
XLogP2.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
CID 30295362
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 30295515
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 30295473
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
CID 71989611
N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
CID 167886841
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295905
3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565556
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide (CID 30295335) is N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2nnnn2C2CCCC2)cc1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide?
The InChIKey is BVKMRYIEBZUWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-23-14-9-7-12(8-10-14)16(22)17-11-15-18-19-20-21(15)13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,22).
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide has a molecular weight of 315.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide is sourced from PubChem (CID 30295335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).