N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide

C16H17NO2 — CID 713006

IUPACN-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)N(C)Cc2ccccc2)o1
InChIInChI=1S/C16H17NO2/c1-13-8-9-15(19-13)10-11-16(18)17(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyLPLKPEABGFLQMS-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.26
Rot. Bonds4

About N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide

N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 713006) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID713006
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)N(C)Cc2ccccc2)o1
InChIInChI=1S/C16H17NO2/c1-13-8-9-15(19-13)10-11-16(18)17(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyLPLKPEABGFLQMS-UHFFFAOYSA-N
XLogP3.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 7779970
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17457554
N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 102603870
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 71944511
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60832393
3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 102603432
3-(5-methylfuran-2-yl)-N,N-dipropylprop-2-enamide
CID 4681801
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide
CID 5037434
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-propylamino]acetic acid
CID 54898473
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 713006) is N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)N(C)Cc2ccccc2)o1.
What is the InChIKey of N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is LPLKPEABGFLQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13-8-9-15(19-13)10-11-16(18)17(2)12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 713006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).