N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide

C26H32N6O5 — CID 3179953

IUPACN-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(O)c1
InChIInChI=1S/C26H32N6O5/c1-4-21(26(35)27-18-8-5-6-9-18)32(19-10-7-11-20(33)15-19)24(34)16-31-29-25(28-30-31)17-12-13-22(36-2)23(14-17)37-3/h7,10-15,18,21,33H,4-6,8-9,16H2,1-3H3,(H,27,35)
InChIKeyFDOLJOXKLDINNK-UHFFFAOYSA-N
MW508.58 g/mol
LogP2.93
Rot. Bonds10

About N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide

N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide (PubChem CID 3179953) has the molecular formula C26H32N6O5 and a molecular weight of 508.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide
PubChem CID3179953
Molecular FormulaC26H32N6O5
Molecular Weight508.58 g/mol
Exact Mass508.24
IUPAC NameN-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(O)c1
InChIInChI=1S/C26H32N6O5/c1-4-21(26(35)27-18-8-5-6-9-18)32(19-10-7-11-20(33)15-19)24(34)16-31-29-25(28-30-31)17-12-13-22(36-2)23(14-17)37-3/h7,10-15,18,21,33H,4-6,8-9,16H2,1-3H3,(H,27,35)
InChIKeyFDOLJOXKLDINNK-UHFFFAOYSA-N
XLogP2.93
TPSA131.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide?
The IUPAC name of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide (CID 3179953) is N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide.
What is the SMILES notation for N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide?
The canonical SMILES for N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(O)c1.
What is the InChIKey of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide?
The InChIKey is FDOLJOXKLDINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O5/c1-4-21(26(35)27-18-8-5-6-9-18)32(19-10-7-11-20(33)15-19)24(34)16-31-29-25(28-30-31)17-12-13-22(36-2)23(14-17)37-3/h7,10-15,18,21,33H,4-6,8-9,16H2,1-3H3,(H,27,35).
What are the key properties of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide?
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide has a molecular weight of 508.58 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-hydroxyanilino)butanamide is sourced from PubChem (CID 3179953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).