2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid

C14H19ClN2O4 — CID 61447818

IUPAC2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid
SMILESCCN(CCOC)C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4/c1-3-16(8-9-21-2)14(20)17(10-13(18)19)12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyGSQDJWPRGMAYPV-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.32
Rot. Bonds7

About 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid

2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid (PubChem CID 61447818) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid
PubChem CID61447818
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid
SMILESCCN(CCOC)C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4/c1-3-16(8-9-21-2)14(20)17(10-13(18)19)12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyGSQDJWPRGMAYPV-UHFFFAOYSA-N
XLogP2.32
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269819
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189003
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
CID 61162445

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid (CID 61447818) is 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid is CCN(CCOC)C(=O)N(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid?
The InChIKey is GSQDJWPRGMAYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-16(8-9-21-2)14(20)17(10-13(18)19)12-6-4-11(15)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid?
2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid has a molecular weight of 314.77 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid is sourced from PubChem (CID 61447818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).