N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide

C24H37N5O — CID 10201700

IUPACN-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)NC2CC2)c2ccccc2)n1
InChIInChI=1S/C24H37N5O/c1-2-3-4-5-6-7-8-9-10-14-19-29-27-23(26-28-29)22(20-15-12-11-13-16-20)24(30)25-21-17-18-21/h11-13,15-16,21-22H,2-10,14,17-19H2,1H3,(H,25,30)
InChIKeyURSMRQBFOIJSLC-UHFFFAOYSA-N
MW411.59 g/mol
LogP5.00
Rot. Bonds15

About N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide

N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide (PubChem CID 10201700) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide
PubChem CID10201700
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC NameN-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)NC2CC2)c2ccccc2)n1
InChIInChI=1S/C24H37N5O/c1-2-3-4-5-6-7-8-9-10-14-19-29-27-23(26-28-29)22(20-15-12-11-13-16-20)24(30)25-21-17-18-21/h11-13,15-16,21-22H,2-10,14,17-19H2,1H3,(H,25,30)
InChIKeyURSMRQBFOIJSLC-UHFFFAOYSA-N
XLogP5.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide (CID 10201700) is N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide is CCCCCCCCCCCCn1nnc(C(C(=O)NC2CC2)c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide?
The InChIKey is URSMRQBFOIJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-2-3-4-5-6-7-8-9-10-14-19-29-27-23(26-28-29)22(20-15-12-11-13-16-20)24(30)25-21-17-18-21/h11-13,15-16,21-22H,2-10,14,17-19H2,1H3,(H,25,30).
What are the key properties of N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide?
N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide has a molecular weight of 411.59 g/mol, XLogP of 5.00, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-dodecyltetrazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 10201700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).