(2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide

C16H29N3O3 — CID 124608539

IUPAC(2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCCO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)C12CCCC2
InChIInChI=1S/C16H29N3O3/c1-5-22-13-10-12(16(13)8-6-7-9-16)18-15(21)17-11(2)14(20)19(3)4/h11-13H,5-10H2,1-4H3,(H2,17,18,21)/t11-,12+,13-/m0/s1
InChIKeyDHQMJUQWEKIAIU-XQQFMLRXSA-N
MW311.43 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide

(2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 124608539) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide
PubChem CID124608539
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCCO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)C12CCCC2
InChIInChI=1S/C16H29N3O3/c1-5-22-13-10-12(16(13)8-6-7-9-16)18-15(21)17-11(2)14(20)19(3)4/h11-13H,5-10H2,1-4H3,(H2,17,18,21)/t11-,12+,13-/m0/s1
InChIKeyDHQMJUQWEKIAIU-XQQFMLRXSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide 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-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749
1-(3-ethoxyspiro[3.4]octan-1-yl)-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111756449
3-[(3-ethoxyspiro[3.4]octan-1-yl)carbamoyl-methylamino]propanoic acid
CID 122004397
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372
(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
CID 100577324
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-N,N-dimethylpropanamide
CID 65167588
4-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003623
3-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethyl]-1,1-dimethylurea
CID 83117181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide (CID 124608539) is (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide is CCO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)C12CCCC2.
What is the InChIKey of (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is DHQMJUQWEKIAIU-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-5-22-13-10-12(16(13)8-6-7-9-16)18-15(21)17-11(2)14(20)19(3)4/h11-13H,5-10H2,1-4H3,(H2,17,18,21)/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide?
(2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 124608539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).