N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide

C22H30N6O4 — CID 53347965

IUPACN-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(C3CC3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C22H30N6O4/c1-14(22(30)23-16-6-4-5-7-16)28(17-9-10-17)20(29)13-27-25-21(24-26-27)15-8-11-18(31-2)19(12-15)32-3/h8,11-12,14,16-17H,4-7,9-10,13H2,1-3H3,(H,23,30)
InChIKeyJEZHXFMCQQCLFK-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.80
Rot. Bonds9

About N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide

N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide (PubChem CID 53347965) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
PubChem CID53347965
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC NameN-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(C3CC3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C22H30N6O4/c1-14(22(30)23-16-6-4-5-7-16)28(17-9-10-17)20(29)13-27-25-21(24-26-27)15-8-11-18(31-2)19(12-15)32-3/h8,11-12,14,16-17H,4-7,9-10,13H2,1-3H3,(H,23,30)
InChIKeyJEZHXFMCQQCLFK-UHFFFAOYSA-N
XLogP1.80
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide (CID 53347965) is N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide is COc1ccc(-c2nnn(CC(=O)N(C3CC3)C(C)C(=O)NC3CCCC3)n2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
The InChIKey is JEZHXFMCQQCLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4/c1-14(22(30)23-16-6-4-5-7-16)28(17-9-10-17)20(29)13-27-25-21(24-26-27)15-8-11-18(31-2)19(12-15)32-3/h8,11-12,14,16-17H,4-7,9-10,13H2,1-3H3,(H,23,30).
What are the key properties of N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide has a molecular weight of 442.52 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide is sourced from PubChem (CID 53347965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).