N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide

C18H28N2O3 — CID 15167701

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide
SMILESCCCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1
InChIInChI=1S/C18H28N2O3/c1-4-7-13-10-15(17(23-3)16(21)11-13)18(22)19-12-14-8-6-9-20(14)5-2/h10-11,14,21H,4-9,12H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyNDOACRCCZRNDRC-AWEZNQCLSA-N
MW320.43 g/mol
LogP2.57
Rot. Bonds7

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide (PubChem CID 15167701) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide
PubChem CID15167701
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide
SMILESCCCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1
InChIInChI=1S/C18H28N2O3/c1-4-7-13-10-15(17(23-3)16(21)11-13)18(22)19-12-14-8-6-9-20(14)5-2/h10-11,14,21H,4-9,12H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyNDOACRCCZRNDRC-AWEZNQCLSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide (CID 15167701) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide is CCCc1cc(O)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide?
The InChIKey is NDOACRCCZRNDRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-7-13-10-15(17(23-3)16(21)11-13)18(22)19-12-14-8-6-9-20(14)5-2/h10-11,14,21H,4-9,12H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide is sourced from PubChem (CID 15167701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).