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

C25H30N6O5 — CID 3179794

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C25H30N6O5/c1-34-20-11-9-19(10-12-20)30(15-23(32)26-18-6-4-5-7-18)24(33)16-31-28-25(27-29-31)17-8-13-21(35-2)22(14-17)36-3/h8-14,18H,4-7,15-16H2,1-3H3,(H,26,32)
InChIKeyMXXDFDLLDMZLAR-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.46
Rot. Bonds10

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

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3179794) has the molecular formula C25H30N6O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID3179794
Molecular FormulaC25H30N6O5
Molecular Weight494.55 g/mol
Exact Mass494.23
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C25H30N6O5/c1-34-20-11-9-19(10-12-20)30(15-23(32)26-18-6-4-5-7-18)24(33)16-31-28-25(27-29-31)17-8-13-21(35-2)22(14-17)36-3/h8-14,18H,4-7,15-16H2,1-3H3,(H,26,32)
InChIKeyMXXDFDLLDMZLAR-UHFFFAOYSA-N
XLogP2.46
TPSA120.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
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-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 53347981
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
CID 53393835
CID 53393835
2-(5-Benzo[1,3]dioxol-5-yl-tetrazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)-acetamide
CID 1080291
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 646240
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
N-Cyclopentylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 647440

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 3179794) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is MXXDFDLLDMZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5/c1-34-20-11-9-19(10-12-20)30(15-23(32)26-18-6-4-5-7-18)24(33)16-31-28-25(27-29-31)17-8-13-21(35-2)22(14-17)36-3/h8-14,18H,4-7,15-16H2,1-3H3,(H,26,32).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 494.55 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3179794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).