N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide

C16H21N3O4 — CID 3762747

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide
SMILESC=CCN(Cc1cccc(OC)c1OC)C(=O)N1CCNC1=O
InChIInChI=1S/C16H21N3O4/c1-4-9-18(16(21)19-10-8-17-15(19)20)11-12-6-5-7-13(22-2)14(12)23-3/h4-7H,1,8-11H2,2-3H3,(H,17,20)
InChIKeyXAEFUGQWGYFAJX-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.84
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide (PubChem CID 3762747) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide
PubChem CID3762747
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide
SMILESC=CCN(Cc1cccc(OC)c1OC)C(=O)N1CCNC1=O
InChIInChI=1S/C16H21N3O4/c1-4-9-18(16(21)19-10-8-17-15(19)20)11-12-6-5-7-13(22-2)14(12)23-3/h4-7H,1,8-11H2,2-3H3,(H,17,20)
InChIKeyXAEFUGQWGYFAJX-UHFFFAOYSA-N
XLogP1.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8955988
8-[(2,3-dimethoxyphenyl)methyl-prop-2-enylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 3459076
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55921283
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 95716903
1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030528
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
N-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-methylpyrazole-3-carboxamide
CID 131899641
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
CID 26217588
1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 125447458
1-[(2R)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 9127916
1-[(2S)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanoyl]imidazolidin-2-one
CID 9127914

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide (CID 3762747) is N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide is C=CCN(Cc1cccc(OC)c1OC)C(=O)N1CCNC1=O.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide?
The InChIKey is XAEFUGQWGYFAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-4-9-18(16(21)19-10-8-17-15(19)20)11-12-6-5-7-13(22-2)14(12)23-3/h4-7H,1,8-11H2,2-3H3,(H,17,20).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide is sourced from PubChem (CID 3762747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).