N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide

C20H29N3O2 — CID 95620224

IUPACN-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1c(N2CCCC2)cccc1N1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(15-16-7-6-14-25-16)21-20-17(22-10-1-2-11-22)8-5-9-18(20)23-12-3-4-13-23/h5,8-9,16H,1-4,6-7,10-15H2,(H,21,24)/t16-/m0/s1
InChIKeyQEEZGCCFQFDGJH-INIZCTEOSA-N
MW343.47 g/mol
LogP3.39
Rot. Bonds5

About N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide

N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 95620224) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID95620224
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1c(N2CCCC2)cccc1N1CCCC1
InChIInChI=1S/C20H29N3O2/c24-19(15-16-7-6-14-25-16)21-20-17(22-10-1-2-11-22)8-5-9-18(20)23-12-3-4-13-23/h5,8-9,16H,1-4,6-7,10-15H2,(H,21,24)/t16-/m0/s1
InChIKeyQEEZGCCFQFDGJH-INIZCTEOSA-N
XLogP3.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
3-bromo-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156898
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 129377300
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide (CID 95620224) is N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)Nc1c(N2CCCC2)cccc1N1CCCC1.
What is the InChIKey of N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is QEEZGCCFQFDGJH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(15-16-7-6-14-25-16)21-20-17(22-10-1-2-11-22)8-5-9-18(20)23-12-3-4-13-23/h5,8-9,16H,1-4,6-7,10-15H2,(H,21,24)/t16-/m0/s1.
What are the key properties of N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide?
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 95620224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).