N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

C25H32N6O5 — CID 3179975

IUPACN-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H32N6O5/c1-5-19(25(33)26-17-8-6-7-9-17)31(18-11-13-20(34-3)22(14-18)35-4)23(32)15-30-28-24(27-29-30)21-12-10-16(2)36-21/h10-14,17,19H,5-9,15H2,1-4H3,(H,26,33)
InChIKeyVXJULRYZNZHBGK-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.13
Rot. Bonds10

About N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (PubChem CID 3179975) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
PubChem CID3179975
Molecular FormulaC25H32N6O5
Molecular Weight496.57 g/mol
Exact Mass496.24
IUPAC NameN-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H32N6O5/c1-5-19(25(33)26-17-8-6-7-9-17)31(18-11-13-20(34-3)22(14-18)35-4)23(32)15-30-28-24(27-29-30)21-12-10-16(2)36-21/h10-14,17,19H,5-9,15H2,1-4H3,(H,26,33)
InChIKeyVXJULRYZNZHBGK-UHFFFAOYSA-N
XLogP3.13
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (CID 3179975) is N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The InChIKey is VXJULRYZNZHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-5-19(25(33)26-17-8-6-7-9-17)31(18-11-13-20(34-3)22(14-18)35-4)23(32)15-30-28-24(27-29-30)21-12-10-16(2)36-21/h10-14,17,19H,5-9,15H2,1-4H3,(H,26,33).
What are the key properties of N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide has a molecular weight of 496.57 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dimethoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is sourced from PubChem (CID 3179975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).