N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide

C14H21N3O4 — CID 63324892

IUPACN-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
SMILESCOCCNCc1cc(C)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C14H21N3O4/c1-10-3-4-12(21-9-13(18)17-14(15)19)11(7-10)8-16-5-6-20-2/h3-4,7,16H,5-6,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyWNIGTQMLXCNVRZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.30
Rot. Bonds8

About N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide

N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide (PubChem CID 63324892) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
PubChem CID63324892
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
SMILESCOCCNCc1cc(C)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C14H21N3O4/c1-10-3-4-12(21-9-13(18)17-14(15)19)11(7-10)8-16-5-6-20-2/h3-4,7,16H,5-6,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyWNIGTQMLXCNVRZ-UHFFFAOYSA-N
XLogP0.30
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63056501
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 63324753
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
CID 114231448
3-[(2-methoxy-5-methylphenyl)methylamino]propanamide
CID 43423932
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053957
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
N-carbamoyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 43276298
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053956
2-[4-methyl-2-(methylaminomethyl)phenoxy]acetamide
CID 63322657

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide (CID 63324892) is N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide is COCCNCc1cc(C)ccc1OCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide?
The InChIKey is WNIGTQMLXCNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-3-4-12(21-9-13(18)17-14(15)19)11(7-10)8-16-5-6-20-2/h3-4,7,16H,5-6,8-9H2,1-2H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide?
N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide is sourced from PubChem (CID 63324892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).