3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide

C12H22N2O2 — CID 115741887

IUPAC3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1=CCCOC1
InChIInChI=1S/C12H22N2O2/c1-2-6-14-12(15)5-7-13-9-11-4-3-8-16-10-11/h4,13H,2-3,5-10H2,1H3,(H,14,15)
InChIKeyCXRYKDSTVCMXQP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds7

About 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide

3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide (PubChem CID 115741887) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide
PubChem CID115741887
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCC1=CCCOC1
InChIInChI=1S/C12H22N2O2/c1-2-6-14-12(15)5-7-13-9-11-4-3-8-16-10-11/h4,13H,2-3,5-10H2,1H3,(H,14,15)
InChIKeyCXRYKDSTVCMXQP-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide 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-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-difluoroacetamide
CID 130668383
N-(3-methoxypropyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide
CID 293532
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
CID 130460115
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
CID 143931906
N-[3-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]propanamide
CID 169228677
N-butyl-2-(3,6-dihydro-2H-pyran-5-yl)acetamide
CID 10954508
3-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113581460
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 114409646
3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 114409680

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide (CID 115741887) is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide is CCCNC(=O)CCNCC1=CCCOC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide?
The InChIKey is CXRYKDSTVCMXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-6-14-12(15)5-7-13-9-11-4-3-8-16-10-11/h4,13H,2-3,5-10H2,1H3,(H,14,15).
What are the key properties of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide?
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide is sourced from PubChem (CID 115741887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).