(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide

C15H21N3O4 — CID 2397451

IUPAC(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)NC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C15H21N3O4/c1-3-16-15(20)18-14(19)10(2)17-8-11-9-21-12-6-4-5-7-13(12)22-11/h4-7,10-11,17H,3,8-9H2,1-2H3,(H2,16,18,19,20)/t10-,11-/m1/s1
InChIKeyIYACIWIUSQADGQ-GHMZBOCLSA-N
MW307.35 g/mol
LogP0.65
Rot. Bonds5

About (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide

(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide (PubChem CID 2397451) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide
PubChem CID2397451
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)NC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C15H21N3O4/c1-3-16-15(20)18-14(19)10(2)17-8-11-9-21-12-6-4-5-7-13(12)22-11/h4-7,10-11,17H,3,8-9H2,1-2H3,(H2,16,18,19,20)/t10-,11-/m1/s1
InChIKeyIYACIWIUSQADGQ-GHMZBOCLSA-N
XLogP0.65
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide 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

(2S)-2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 51979757
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914844
(2S)-N-carbamoyl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-phenylacetamide
CID 8513987
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61248970
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-propan-2-yloxybenzamide
CID 100581491
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
(2R)-2-acetamido-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbutanamide
CID 41012966
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 61249529

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide (CID 2397451) is (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@@H](C)NC[C@@H]1COc2ccccc2O1.
What is the InChIKey of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is IYACIWIUSQADGQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-16-15(20)18-14(19)10(2)17-8-11-9-21-12-6-4-5-7-13(12)22-11/h4-7,10-11,17H,3,8-9H2,1-2H3,(H2,16,18,19,20)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide?
(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 2397451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).