2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide

C23H30N6O4 — CID 53347981

IUPAC2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1)NC1CCCC1
InChIInChI=1S/C23H30N6O4/c30-21(24-17-6-4-5-7-17)13-28(18-8-2-1-3-9-18)22(31)14-29-26-23(25-27-29)16-10-11-19-20(12-16)33-15-32-19/h10-12,17-18H,1-9,13-15H2,(H,24,30)
InChIKeyGDOCPHWHVZLBBD-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.29
Rot. Bonds7

About 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide

2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide (PubChem CID 53347981) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
PubChem CID53347981
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1)NC1CCCC1
InChIInChI=1S/C23H30N6O4/c30-21(24-17-6-4-5-7-17)13-28(18-8-2-1-3-9-18)22(31)14-29-26-23(25-27-29)16-10-11-19-20(12-16)33-15-32-19/h10-12,17-18H,1-9,13-15H2,(H,24,30)
InChIKeyGDOCPHWHVZLBBD-UHFFFAOYSA-N
XLogP2.29
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 53393835
CID 53393835
N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
Cjd-hdl-113-2
CID 53262912
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
2-[cyclohexyl-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347995
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-(oxan-4-yl)amino]-N-cyclopentylpropanamide
CID 53377432
2-[cyclohexyl-[2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53377445
N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 648011
N-Benzo[1,3]dioxol-5-ylmethyl-N-[(3-methyl-butylcarbamoyl)-methyl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 650873
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide (CID 53347981) is 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide is O=C(CN(C(=O)Cn1nnc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1)NC1CCCC1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide?
The InChIKey is GDOCPHWHVZLBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c30-21(24-17-6-4-5-7-17)13-28(18-8-2-1-3-9-18)22(31)14-29-26-23(25-27-29)16-10-11-19-20(12-16)33-15-32-19/h10-12,17-18H,1-9,13-15H2,(H,24,30).
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide?
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 53347981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).