N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide

C24H34N6O2 — CID 3179889

IUPACN-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C1CCCC1
InChIInChI=1S/C24H34N6O2/c1-3-21(24(32)25-19-8-4-5-9-19)30(20-10-6-7-11-20)22(31)16-29-27-23(26-28-29)18-14-12-17(2)13-15-18/h12-15,19-21H,3-11,16H2,1-2H3,(H,25,32)
InChIKeyCENXCOYDVBCZIA-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.26
Rot. Bonds8

About N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide

N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide (PubChem CID 3179889) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide
PubChem CID3179889
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C1CCCC1
InChIInChI=1S/C24H34N6O2/c1-3-21(24(32)25-19-8-4-5-9-19)30(20-10-6-7-11-20)22(31)16-29-27-23(26-28-29)18-14-12-17(2)13-15-18/h12-15,19-21H,3-11,16H2,1-2H3,(H,25,32)
InChIKeyCENXCOYDVBCZIA-UHFFFAOYSA-N
XLogP3.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide (CID 3179889) is N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
The InChIKey is CENXCOYDVBCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-3-21(24(32)25-19-8-4-5-9-19)30(20-10-6-7-11-20)22(31)16-29-27-23(26-28-29)18-14-12-17(2)13-15-18/h12-15,19-21H,3-11,16H2,1-2H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide has a molecular weight of 438.58 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[cyclopentyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide is sourced from PubChem (CID 3179889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).