N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C19H27NO3 — CID 100909104

IUPACN-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)C1=C(C)OCCC1
InChIInChI=1S/C19H27NO3/c1-16-18(11-8-14-23-16)19(21)20(12-6-7-13-22-2)15-17-9-4-3-5-10-17/h3-5,9-10H,6-8,11-15H2,1-2H3
InChIKeyVNOGNPVXOWFMIR-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.53
Rot. Bonds8

About N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 100909104) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID100909104
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)C1=C(C)OCCC1
InChIInChI=1S/C19H27NO3/c1-16-18(11-8-14-23-16)19(21)20(12-6-7-13-22-2)15-17-9-4-3-5-10-17/h3-5,9-10H,6-8,11-15H2,1-2H3
InChIKeyVNOGNPVXOWFMIR-UHFFFAOYSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
CID 120626022
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
N-[2-[[(1S,7R)-bicyclo[5.1.0]octane-4-carbonyl]amino]ethyl]-N-(2-methoxyethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 167966484
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752527
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 3550136
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(3-methoxypropyl)benzamide
CID 4543509
1-benzyl-1-(4-methoxybutyl)-3-(4-propan-2-ylphenyl)urea
CID 60582881

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 100909104) is N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is COCCCCN(Cc1ccccc1)C(=O)C1=C(C)OCCC1.
What is the InChIKey of N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is VNOGNPVXOWFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-16-18(11-8-14-23-16)19(21)20(12-6-7-13-22-2)15-17-9-4-3-5-10-17/h3-5,9-10H,6-8,11-15H2,1-2H3.
What are the key properties of N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 100909104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).