N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide

C22H25NO3 — CID 75910284

IUPACN-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C22H25NO3/c1-25-21-12-6-5-10-19(21)16-23(17-20-11-7-15-26-20)22(24)14-13-18-8-3-2-4-9-18/h2-6,8-10,12-14,20H,7,11,15-17H2,1H3
InChIKeySIUYGMPNVCVXPU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.92
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide

N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 75910284) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
PubChem CID75910284
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C22H25NO3/c1-25-21-12-6-5-10-19(21)16-23(17-20-11-7-15-26-20)22(24)14-13-18-8-3-2-4-9-18/h2-6,8-10,12-14,20H,7,11,15-17H2,1H3
InChIKeySIUYGMPNVCVXPU-UHFFFAOYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268
(E)-3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 19120021
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119729721
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
2-[3-(4-fluorophenyl)prop-2-enoyl-(oxolan-2-ylmethyl)amino]acetic acid
CID 71915579

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide (CID 75910284) is N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide is COc1ccccc1CN(CC1CCCO1)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is SIUYGMPNVCVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-25-21-12-6-5-10-19(21)16-23(17-20-11-7-15-26-20)22(24)14-13-18-8-3-2-4-9-18/h2-6,8-10,12-14,20H,7,11,15-17H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 351.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 75910284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).