N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide

C14H21N3O4 — CID 43278167

IUPACN-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1ccc(OCC(=O)NC(N)=O)c(OCC)c1
InChIInChI=1S/C14H21N3O4/c1-3-16-8-10-5-6-11(12(7-10)20-4-2)21-9-13(18)17-14(15)19/h5-7,16H,3-4,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyLYPYAUSVRSLWKG-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.77
Rot. Bonds8

About N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide

N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide (PubChem CID 43278167) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
PubChem CID43278167
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1ccc(OCC(=O)NC(N)=O)c(OCC)c1
InChIInChI=1S/C14H21N3O4/c1-3-16-8-10-5-6-11(12(7-10)20-4-2)21-9-13(18)17-14(15)19/h5-7,16H,3-4,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyLYPYAUSVRSLWKG-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 28561787
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311896
2-[2-bromo-4-(propylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 63044671
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60882636

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide (CID 43278167) is N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide is CCNCc1ccc(OCC(=O)NC(N)=O)c(OCC)c1.
What is the InChIKey of N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide?
The InChIKey is LYPYAUSVRSLWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-16-8-10-5-6-11(12(7-10)20-4-2)21-9-13(18)17-14(15)19/h5-7,16H,3-4,8-9H2,1-2H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide?
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.77, 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-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 43278167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).