2-(carboxymethoxy)acetic acid;N,N-dibutylaniline

C18H29NO5 — CID 160531229

IUPAC2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
SMILESCCCCN(CCCC)c1ccccc1.O=C(O)COCC(=O)O
InChIInChI=1S/C14H23N.C4H6O5/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;5-3(6)1-9-2-4(7)8/h7-11H,3-6,12-13H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyQVOIXRFRNUWDRW-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.27
Rot. Bonds11

About 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline

2-(carboxymethoxy)acetic acid;N,N-dibutylaniline (PubChem CID 160531229) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline.

Molecular Properties

Compound Name2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
PubChem CID160531229
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
SMILESCCCCN(CCCC)c1ccccc1.O=C(O)COCC(=O)O
InChIInChI=1S/C14H23N.C4H6O5/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;5-3(6)1-9-2-4(7)8/h7-11H,3-6,12-13H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyQVOIXRFRNUWDRW-UHFFFAOYSA-N
XLogP3.27
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-butylanilino)propanamide
CID 63172183
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
N,N-dibutylaniline;perchloric acid
CID 71443116
3-[N-(2-butoxyethyl)anilino]propanoic acid
CID 61483721
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
2-(N-decylanilino)ethyl acetate
CID 70658915
4-(N-butylanilino)butyl phenyl carbonate
CID 21419980
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
methyl 4-(N-butylanilino)-2-methyl-2-(methylamino)butanoate
CID 64586012
N,N-dibutyl-4-phenoxyaniline
CID 70287986
4-(N-ethylanilino)butanoic acid
CID 11390560

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline?
The IUPAC name of 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline (CID 160531229) is 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline.
What is the SMILES notation for 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline?
The canonical SMILES for 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline is CCCCN(CCCC)c1ccccc1.O=C(O)COCC(=O)O.
What is the InChIKey of 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline?
The InChIKey is QVOIXRFRNUWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C4H6O5/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;5-3(6)1-9-2-4(7)8/h7-11H,3-6,12-13H2,1-2H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline?
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline has a molecular weight of 339.43 g/mol, XLogP of 3.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethoxy)acetic acid;N,N-dibutylaniline is sourced from PubChem (CID 160531229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).