(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide

C20H23N3O4 — CID 94643859

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide
SMILESC[C@@H](Nc1cccc(N2CCOCC2)c1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O4/c1-14(20(24)22-16-5-6-18-19(12-16)27-13-26-18)21-15-3-2-4-17(11-15)23-7-9-25-10-8-23/h2-6,11-12,14,21H,7-10,13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyQQJTUZPNOSYFSV-CQSZACIVSA-N
MW369.42 g/mol
LogP2.69
Rot. Bonds5

About (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide (PubChem CID 94643859) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide
PubChem CID94643859
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide
SMILESC[C@@H](Nc1cccc(N2CCOCC2)c1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O4/c1-14(20(24)22-16-5-6-18-19(12-16)27-13-26-18)21-15-3-2-4-17(11-15)23-7-9-25-10-8-23/h2-6,11-12,14,21H,7-10,13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyQQJTUZPNOSYFSV-CQSZACIVSA-N
XLogP2.69
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-morpholin-4-ylaniline
CID 167822387
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 2443696
3-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 55978944
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-(3-nitrophenyl)propanamide
CID 2466995
N-(2,5-dichlorophenyl)-2-(3-morpholin-4-ylanilino)propanamide
CID 87033300
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
CID 7509615
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 31483547
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 51167835
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)acetamide
CID 4134863

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide (CID 94643859) is (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide is C[C@@H](Nc1cccc(N2CCOCC2)c1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide?
The InChIKey is QQJTUZPNOSYFSV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14(20(24)22-16-5-6-18-19(12-16)27-13-26-18)21-15-3-2-4-17(11-15)23-7-9-25-10-8-23/h2-6,11-12,14,21H,7-10,13H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide has a molecular weight of 369.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide is sourced from PubChem (CID 94643859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).