2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid

C15H22N2O4 — CID 121498185

IUPAC2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
SMILESCCc1cccc(OCCCN(C)C(=O)NCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-3-12-6-4-7-13(10-12)21-9-5-8-17(2)15(20)16-11-14(18)19/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMPYILXMPLFYQJF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds8

About 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid

2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid (PubChem CID 121498185) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
PubChem CID121498185
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
SMILESCCc1cccc(OCCCN(C)C(=O)NCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-3-12-6-4-7-13(10-12)21-9-5-8-17(2)15(20)16-11-14(18)19/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMPYILXMPLFYQJF-UHFFFAOYSA-N
XLogP1.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
CID 82109404
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905
3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122007167
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
CID 43240334
3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122007192
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155
4-(3-ethylphenoxy)butanamide
CID 82040637
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid (CID 121498185) is 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid is CCc1cccc(OCCCN(C)C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid?
The InChIKey is MPYILXMPLFYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-12-6-4-7-13(10-12)21-9-5-8-17(2)15(20)16-11-14(18)19/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid?
2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 121498185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).