N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide

C22H30N2O5 — CID 143243394

IUPACN-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC1(C)CCCC1)NC(=O)c1cccc(O)c1
InChIInChI=1S/C22H30N2O5/c1-3-18-19(17(26)13-29-18)24-21(28)16(12-22(2)9-4-5-10-22)23-20(27)14-7-6-8-15(25)11-14/h6-8,11,16,18-19,25H,3-5,9-10,12-13H2,1-2H3,(H,23,27)(H,24,28)/t16?,18-,19+/m0/s1
InChIKeyZZVHPNOXRBIJND-NGFYBIIMSA-N
MW402.49 g/mol
LogP2.32
Rot. Bonds7

About N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide

N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide (PubChem CID 143243394) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
PubChem CID143243394
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC NameN-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC1(C)CCCC1)NC(=O)c1cccc(O)c1
InChIInChI=1S/C22H30N2O5/c1-3-18-19(17(26)13-29-18)24-21(28)16(12-22(2)9-4-5-10-22)23-20(27)14-7-6-8-15(25)11-14/h6-8,11,16,18-19,25H,3-5,9-10,12-13H2,1-2H3,(H,23,27)(H,24,28)/t16?,18-,19+/m0/s1
InChIKeyZZVHPNOXRBIJND-NGFYBIIMSA-N
XLogP2.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide?
The IUPAC name of N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide (CID 143243394) is N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide is CC[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC1(C)CCCC1)NC(=O)c1cccc(O)c1.
What is the InChIKey of N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide?
The InChIKey is ZZVHPNOXRBIJND-NGFYBIIMSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-3-18-19(17(26)13-29-18)24-21(28)16(12-22(2)9-4-5-10-22)23-20(27)14-7-6-8-15(25)11-14/h6-8,11,16,18-19,25H,3-5,9-10,12-13H2,1-2H3,(H,23,27)(H,24,28)/t16?,18-,19+/m0/s1.
What are the key properties of N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide?
N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide has a molecular weight of 402.49 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide is sourced from PubChem (CID 143243394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).