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2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide

C24H29ClN6O3 — CID 55438971

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCCC(C(=O)NCC(c1ccc(OC)cc1)N1CCOCC1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H29ClN6O3/c1-3-21(31-28-23(27-29-31)18-4-8-19(25)9-5-18)24(32)26-16-22(30-12-14-34-15-13-30)17-6-10-20(33-2)11-7-17/h4-11,21-22H,3,12-16H2,1-2H3,(H,26,32)
InChIKeyQCSUPRGHQMMBBW-UHFFFAOYSA-N
MW484.99 g/mol
LogP3.14
Rot. Bonds9

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide (PubChem CID 55438971) has the molecular formula C24H29ClN6O3 and a molecular weight of 484.99 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide
PubChem CID55438971
Molecular FormulaC24H29ClN6O3
Molecular Weight484.99 g/mol
Exact Mass484.20
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCCC(C(=O)NCC(c1ccc(OC)cc1)N1CCOCC1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H29ClN6O3/c1-3-21(31-28-23(27-29-31)18-4-8-19(25)9-5-18)24(32)26-16-22(30-12-14-34-15-13-30)17-6-10-20(33-2)11-7-17/h4-11,21-22H,3,12-16H2,1-2H3,(H,26,32)
InChIKeyQCSUPRGHQMMBBW-UHFFFAOYSA-N
XLogP3.14
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide (CID 55438971) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide is CCC(C(=O)NCC(c1ccc(OC)cc1)N1CCOCC1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The InChIKey is QCSUPRGHQMMBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O3/c1-3-21(31-28-23(27-29-31)18-4-8-19(25)9-5-18)24(32)26-16-22(30-12-14-34-15-13-30)17-6-10-20(33-2)11-7-17/h4-11,21-22H,3,12-16H2,1-2H3,(H,26,32).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide has a molecular weight of 484.99 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide is sourced from PubChem (CID 55438971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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