2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide

C16H23N3O4 — CID 118763767

IUPAC2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)NCC2CCOCC2)c1
InChIInChI=1S/C16H23N3O4/c1-22-11-15(20)18-13-3-2-4-14(9-13)19-16(21)17-10-12-5-7-23-8-6-12/h2-4,9,12H,5-8,10-11H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyKFLDWFQSGXCVFT-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.82
Rot. Bonds6

About 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide

2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide (PubChem CID 118763767) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
PubChem CID118763767
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)NCC2CCOCC2)c1
InChIInChI=1S/C16H23N3O4/c1-22-11-15(20)18-13-3-2-4-14(9-13)19-16(21)17-10-12-5-7-23-8-6-12/h2-4,9,12H,5-8,10-11H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyKFLDWFQSGXCVFT-UHFFFAOYSA-N
XLogP1.82
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 72858036
N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide
CID 118775293
2-[3-(oxolan-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 62822807
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide (CID 118763767) is 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide is COCC(=O)Nc1cccc(NC(=O)NCC2CCOCC2)c1.
What is the InChIKey of 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide?
The InChIKey is KFLDWFQSGXCVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-11-15(20)18-13-3-2-4-14(9-13)19-16(21)17-10-12-5-7-23-8-6-12/h2-4,9,12H,5-8,10-11H2,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide?
2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 118763767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).