3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide

C16H23N3O3 — CID 18338856

IUPAC3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide
SMILESCOc1cccc(CN2C(=O)NCCC2C(=O)NC(C)C)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)18-15(20)14-7-8-17-16(21)19(14)10-12-5-4-6-13(9-12)22-3/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyRBAYGFVJXBCLLJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.50
Rot. Bonds5

About 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide

3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide (PubChem CID 18338856) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide
PubChem CID18338856
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide
SMILESCOc1cccc(CN2C(=O)NCCC2C(=O)NC(C)C)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)18-15(20)14-7-8-17-16(21)19(14)10-12-5-4-6-13(9-12)22-3/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyRBAYGFVJXBCLLJ-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-benzyl-4-[(3-methoxyphenyl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 126465083
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CID 82481104
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
(2S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 66645053
(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 95735484
(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851931
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585145
3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
CID 134162150
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
1-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50831083
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide (CID 18338856) is 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide is COc1cccc(CN2C(=O)NCCC2C(=O)NC(C)C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide?
The InChIKey is RBAYGFVJXBCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)18-15(20)14-7-8-17-16(21)19(14)10-12-5-4-6-13(9-12)22-3/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide?
3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 18338856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).