N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide

C16H19NO2 — CID 146095242

IUPACN-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CC1=CCCOC1)Cc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-16(18)17(11-14-7-4-3-5-8-14)12-15-9-6-10-19-13-15/h2-5,7-9H,1,6,10-13H2
InChIKeyKCRMUJFLFCOSBP-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.55
Rot. Bonds5

About N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide

N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide (PubChem CID 146095242) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide
PubChem CID146095242
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CC1=CCCOC1)Cc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-16(18)17(11-14-7-4-3-5-8-14)12-15-9-6-10-19-13-15/h2-5,7-9H,1,6,10-13H2
InChIKeyKCRMUJFLFCOSBP-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
N,N-dibenzylbut-2-enamide
CID 71340814
N-benzyl-N-[(2-bromo-5-methylphenyl)methyl]prop-2-enamide
CID 168864443
N-benzyl-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 166414412
N,N-dibenzylbut-3-enamide
CID 134848345
N,N-bis(benzylsulfanylmethyl)prop-2-enamide
CID 57114251
N-benzyl-N-methoxyprop-2-enamide
CID 86239438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide?
The IUPAC name of N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide (CID 146095242) is N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide is C=CC(=O)N(CC1=CCCOC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide?
The InChIKey is KCRMUJFLFCOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-16(18)17(11-14-7-4-3-5-8-14)12-15-9-6-10-19-13-15/h2-5,7-9H,1,6,10-13H2.
What are the key properties of N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide?
N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide has a molecular weight of 257.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide is sourced from PubChem (CID 146095242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).