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

C25H32N6O5 — CID 3179718

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C25H32N6O5/c1-17-8-10-21(36-17)25-27-29-31(28-25)16-24(33)30(15-23(32)26-19-6-4-5-7-19)13-12-18-9-11-20(34-2)22(14-18)35-3/h8-11,14,19H,4-7,12-13,15-16H2,1-3H3,(H,26,32)
InChIKeyFSVVJEUDKSSGEU-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.39
Rot. Bonds11

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

N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 3179718) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID3179718
Molecular FormulaC25H32N6O5
Molecular Weight496.57 g/mol
Exact Mass496.24
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C25H32N6O5/c1-17-8-10-21(36-17)25-27-29-31(28-25)16-24(33)30(15-23(32)26-19-6-4-5-7-19)13-12-18-9-11-20(34-2)22(14-18)35-3/h8-11,14,19H,4-7,12-13,15-16H2,1-3H3,(H,26,32)
InChIKeyFSVVJEUDKSSGEU-UHFFFAOYSA-N
XLogP2.39
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 3179718) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is COc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is FSVVJEUDKSSGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-17-8-10-21(36-17)25-27-29-31(28-25)16-24(33)30(15-23(32)26-19-6-4-5-7-19)13-12-18-9-11-20(34-2)22(14-18)35-3/h8-11,14,19H,4-7,12-13,15-16H2,1-3H3,(H,26,32).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 496.57 g/mol, XLogP of 2.39, 11 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]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).