N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C24H27FN6O4 — CID 647440

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C24H27FN6O4/c1-34-20-12-11-19(13-21(20)35-2)30(14-22(32)26-18-5-3-4-6-18)23(33)15-31-28-24(27-29-31)16-7-9-17(25)10-8-16/h7-13,18H,3-6,14-15H2,1-2H3,(H,26,32)
InChIKeySDAVZZHRESASMU-UHFFFAOYSA-N
MW482.52 g/mol
LogP2.59
Rot. Bonds9

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 647440) has the molecular formula C24H27FN6O4 and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID647440
Molecular FormulaC24H27FN6O4
Molecular Weight482.52 g/mol
Exact Mass482.21
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C24H27FN6O4/c1-34-20-12-11-19(13-21(20)35-2)30(14-22(32)26-18-5-3-4-6-18)23(33)15-31-28-24(27-29-31)16-7-9-17(25)10-8-16/h7-13,18H,3-6,14-15H2,1-2H3,(H,26,32)
InChIKeySDAVZZHRESASMU-UHFFFAOYSA-N
XLogP2.59
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-1,3-benzodioxol-5-yl-2-[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetamide
CID 973183
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 655165
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-phenyl-acetamide
CID 655633
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 656361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1071199
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 1168118
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[5-(4-dimethylamino-phenyl)-tetrazol-2-yl]-acetamide
CID 1373930
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 3179735
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 3179794
N-Cyclopentyl-2-[{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-(3-hydroxy-phenyl)-amino]-butyramide
CID 3179953

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 647440) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is SDAVZZHRESASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O4/c1-34-20-12-11-19(13-21(20)35-2)30(14-22(32)26-18-5-3-4-6-18)23(33)15-31-28-24(27-29-31)16-7-9-17(25)10-8-16/h7-13,18H,3-6,14-15H2,1-2H3,(H,26,32).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 482.52 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 647440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).