N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide

C15H19NO3 — CID 166406216

IUPACN-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(C)cc1OC1CCOC1
InChIInChI=1S/C15H19NO3/c1-3-15(17)16-9-12-5-4-11(2)8-14(12)19-13-6-7-18-10-13/h3-5,8,13H,1,6-7,9-10H2,2H3,(H,16,17)
InChIKeyVQIDIIXAMVUXIE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.96
Rot. Bonds5

About N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide

N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide (PubChem CID 166406216) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
PubChem CID166406216
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(C)cc1OC1CCOC1
InChIInChI=1S/C15H19NO3/c1-3-15(17)16-9-12-5-4-11(2)8-14(12)19-13-6-7-18-10-13/h3-5,8,13H,1,6-7,9-10H2,2H3,(H,16,17)
InChIKeyVQIDIIXAMVUXIE-UHFFFAOYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
CID 119812658
cis-(1R,2S)-2-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697565
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586
trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 125146337
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205
3-[2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]-2-oxoethyl]benzoic acid
CID 120551363
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
CID 119340201
4-cyano-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-1H-pyrrole-2-carboxamide
CID 97224334
3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 139005782
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
(3aS,6aR)-2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122006370

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide (CID 166406216) is N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(C)cc1OC1CCOC1.
What is the InChIKey of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide?
The InChIKey is VQIDIIXAMVUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-15(17)16-9-12-5-4-11(2)8-14(12)19-13-6-7-18-10-13/h3-5,8,13H,1,6-7,9-10H2,2H3,(H,16,17).
What are the key properties of N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide?
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 166406216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).