N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

C16H21N3O5 — CID 8000806

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESO=C(CNC[C@@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21N3O5/c20-15(10-17-9-12-2-1-5-22-12)19-16(21)18-11-3-4-13-14(8-11)24-7-6-23-13/h3-4,8,12,17H,1-2,5-7,9-10H2,(H2,18,19,20,21)/t12-/m0/s1
InChIKeyXOPJVVFAUWWGDB-LBPRGKRZSA-N
MW335.36 g/mol
LogP0.87
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (PubChem CID 8000806) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
PubChem CID8000806
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESO=C(CNC[C@@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21N3O5/c20-15(10-17-9-12-2-1-5-22-12)19-16(21)18-11-3-4-13-14(8-11)24-7-6-23-13/h3-4,8,12,17H,1-2,5-7,9-10H2,(H2,18,19,20,21)/t12-/m0/s1
InChIKeyXOPJVVFAUWWGDB-LBPRGKRZSA-N
XLogP0.87
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide 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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46639601
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 2955102
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60841575
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015955
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149739
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (CID 8000806) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is O=C(CNC[C@@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is XOPJVVFAUWWGDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O5/c20-15(10-17-9-12-2-1-5-22-12)19-16(21)18-11-3-4-13-14(8-11)24-7-6-23-13/h3-4,8,12,17H,1-2,5-7,9-10H2,(H2,18,19,20,21)/t12-/m0/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 335.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 8000806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).