(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide

C20H29N3O2 — CID 129377300

IUPAC(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
SMILESO=C(Nc1c(N2CCCC2)cccc1N1CCCC1)[C@H]1CCCOC1
InChIInChI=1S/C20H29N3O2/c24-20(16-7-6-14-25-15-16)21-19-17(22-10-1-2-11-22)8-5-9-18(19)23-12-3-4-13-23/h5,8-9,16H,1-4,6-7,10-15H2,(H,21,24)/t16-/m0/s1
InChIKeyMBAZWBGEQJTJAJ-INIZCTEOSA-N
MW343.47 g/mol
LogP3.25
Rot. Bonds4

About (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide

(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide (PubChem CID 129377300) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
PubChem CID129377300
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
SMILESO=C(Nc1c(N2CCCC2)cccc1N1CCCC1)[C@H]1CCCOC1
InChIInChI=1S/C20H29N3O2/c24-20(16-7-6-14-25-15-16)21-19-17(22-10-1-2-11-22)8-5-9-18(19)23-12-3-4-13-23/h5,8-9,16H,1-4,6-7,10-15H2,(H,21,24)/t16-/m0/s1
InChIKeyMBAZWBGEQJTJAJ-INIZCTEOSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
N-(3-formylphenyl)oxane-3-carboxamide
CID 106912673
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
3,5-dimethyl-2-(oxane-3-carbonylamino)benzoic acid
CID 63112148

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide?
The IUPAC name of (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide (CID 129377300) is (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide?
The canonical SMILES for (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide is O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide?
The InChIKey is MBAZWBGEQJTJAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(16-7-6-14-25-15-16)21-19-17(22-10-1-2-11-22)8-5-9-18(19)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 (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide?
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 129377300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).