2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid

C18H26N2O6 — CID 15949326

IUPAC2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid
SMILESCCCCCCOc1ccccc1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C18H26N2O6/c1-2-3-4-7-10-26-15-9-6-5-8-14(15)19-16(21)11-20(12-17(22)23)13-18(24)25/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,19,21)(H,22,23)(H,24,25)
InChIKeyOVMLLDXAYBWFBC-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.06
Rot. Bonds13

About 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid

2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 15949326) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid
PubChem CID15949326
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid
SMILESCCCCCCOc1ccccc1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C18H26N2O6/c1-2-3-4-7-10-26-15-9-6-5-8-14(15)19-16(21)11-20(12-17(22)23)13-18(24)25/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,19,21)(H,22,23)(H,24,25)
InChIKeyOVMLLDXAYBWFBC-UHFFFAOYSA-N
XLogP2.06
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.06
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

N-(2-butoxyphenyl)tetradecanamide
CID 54789601
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
N-(2-butoxyphenyl)propanamide
CID 15943029
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid (CID 15949326) is 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid is CCCCCCOc1ccccc1NC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is OVMLLDXAYBWFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-2-3-4-7-10-26-15-9-6-5-8-14(15)19-16(21)11-20(12-17(22)23)13-18(24)25/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,19,21)(H,22,23)(H,24,25).
What are the key properties of 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid?
2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 366.41 g/mol, XLogP of 2.06, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2-hexoxyanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 15949326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).