N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

C18H26N6O3 — CID 7589064

IUPACN-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCCOCCCNC(=O)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H26N6O3/c1-4-27-11-5-10-19-18(26)20-16(25)12-24-22-17(21-23-24)15-8-6-14(7-9-15)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20,25,26)
InChIKeySTHGFNCRJQMJGG-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.72
Rot. Bonds9

About N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide

N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7589064) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID7589064
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
SMILESCCOCCCNC(=O)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H26N6O3/c1-4-27-11-5-10-19-18(26)20-16(25)12-24-22-17(21-23-24)15-8-6-14(7-9-15)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20,25,26)
InChIKeySTHGFNCRJQMJGG-UHFFFAOYSA-N
XLogP1.72
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-(2-methylbutan-2-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8643218
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7630778
propan-2-yl 3-[2-[2-(butylcarbamoylamino)-2-oxoethyl]tetrazol-5-yl]benzoate
CID 55412602
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3188672
N-[[(2R)-butan-2-yl]carbamoyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7713348

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide (CID 7589064) is N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is CCOCCCNC(=O)NC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is STHGFNCRJQMJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-4-27-11-5-10-19-18(26)20-16(25)12-24-22-17(21-23-24)15-8-6-14(7-9-15)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,19,20,25,26).
What are the key properties of N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide?
N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7589064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).