N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide

C18H25N5O3 — CID 30295362

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnnn2C2CCCC2)cc1OCC
InChIInChI=1S/C18H25N5O3/c1-3-25-15-10-9-13(11-16(15)26-4-2)18(24)19-12-17-20-21-22-23(17)14-7-5-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,24)
InChIKeyRCNVJDBQRKIPKR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.52
Rot. Bonds8

About N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide (PubChem CID 30295362) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
PubChem CID30295362
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnnn2C2CCCC2)cc1OCC
InChIInChI=1S/C18H25N5O3/c1-3-25-15-10-9-13(11-16(15)26-4-2)18(24)19-12-17-20-21-22-23(17)14-7-5-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,24)
InChIKeyRCNVJDBQRKIPKR-UHFFFAOYSA-N
XLogP2.52
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 30295473
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 30295463
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
CID 167886841
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide (CID 30295362) is N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCc2nnnn2C2CCCC2)cc1OCC.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide?
The InChIKey is RCNVJDBQRKIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-25-15-10-9-13(11-16(15)26-4-2)18(24)19-12-17-20-21-22-23(17)14-7-5-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,24).
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide has a molecular weight of 359.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 30295362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).