[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate

C16H20N6O3 — CID 30295899

IUPAC[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1ccccc1NC(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C16H20N6O3/c1-11(23)25-14-9-5-4-8-13(14)18-16(24)17-10-15-19-20-21-22(15)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,17,18,24)
InChIKeyYZHKQMLDVSQFCR-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.04
Rot. Bonds5

About [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate

[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate (PubChem CID 30295899) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
PubChem CID30295899
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
SMILESCC(=O)Oc1ccccc1NC(=O)NCc1nnnn1C1CCCC1
InChIInChI=1S/C16H20N6O3/c1-11(23)25-14-9-5-4-8-13(14)18-16(24)17-10-15-19-20-21-22(15)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,17,18,24)
InChIKeyYZHKQMLDVSQFCR-UHFFFAOYSA-N
XLogP2.04
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 56817067
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 30295473
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 30295515
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 52518791
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
CID 62109806

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate?
The IUPAC name of [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate (CID 30295899) is [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate.
What is the SMILES notation for [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate?
The canonical SMILES for [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate is CC(=O)Oc1ccccc1NC(=O)NCc1nnnn1C1CCCC1.
What is the InChIKey of [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate?
The InChIKey is YZHKQMLDVSQFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11(23)25-14-9-5-4-8-13(14)18-16(24)17-10-15-19-20-21-22(15)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,17,18,24).
What are the key properties of [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate?
[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate has a molecular weight of 344.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate is sourced from PubChem (CID 30295899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).