[1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid

C24H43N3O10 — CID 175073249

IUPAC[1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid
SMILESCCCCN(CCOC(=O)CCC(C(=O)OCCN(CCCC)C(=O)O)N(CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C24H43N3O10/c1-4-7-12-25(22(30)31)15-17-36-20(28)11-10-19(27(24(34)35)14-9-6-3)21(29)37-18-16-26(23(32)33)13-8-5-2/h19H,4-18H2,1-3H3,(H,30,31)(H,32,33)(H,34,35)
InChIKeyFZRWYWPTEULHTO-UHFFFAOYSA-N
MW533.62 g/mol
LogP3.56
Rot. Bonds20

About [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid

[1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid (PubChem CID 175073249) has the molecular formula C24H43N3O10 and a molecular weight of 533.62 g/mol. Its IUPAC name is [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid.

Molecular Properties

Compound Name[1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid
PubChem CID175073249
Molecular FormulaC24H43N3O10
Molecular Weight533.62 g/mol
Exact Mass533.29
IUPAC Name[1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid
SMILESCCCCN(CCOC(=O)CCC(C(=O)OCCN(CCCC)C(=O)O)N(CCCC)C(=O)O)C(=O)O
InChIInChI=1S/C24H43N3O10/c1-4-7-12-25(22(30)31)15-17-36-20(28)11-10-19(27(24(34)35)14-9-6-3)21(29)37-18-16-26(23(32)33)13-8-5-2/h19H,4-18H2,1-3H3,(H,30,31)(H,32,33)(H,34,35)
InChIKeyFZRWYWPTEULHTO-UHFFFAOYSA-N
XLogP3.56
TPSA174.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.62
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-bis[butyl(carboxy)amino]pentan-3-yl-butylcarbamic acid
CID 174982637
2-[2-dodecanoyloxyethyl(methyl)amino]dodecanoic acid
CID 175431061
3-bromopropyl(butyl)carbamic acid
CID 118525445
2-(dibutylamino)ethyl 4-hydroxyundecanoate
CID 153313038
dibutyl (2S)-2-aminopentanedioate;hydrochloride
CID 13126106
butyl(propan-2-yl)carbamic acid
CID 87287717
butyl 3-[butyl(2-ethylhexanoyl)amino]propanoate
CID 11472894
2-[2-aminopropanoyl(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 176872784
hexyl(octadecyl)carbamic acid
CID 87702094
2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate
CID 163953106
5-butoxy-2-hydroxy-5-oxopentanoic acid
CID 174935037
dioctadecyl 2-aminopentanedioate
CID 10078023

Frequently Asked Questions

What is the IUPAC name of [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid?
The IUPAC name of [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid (CID 175073249) is [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid.
What is the SMILES notation for [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid?
The canonical SMILES for [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid is CCCCN(CCOC(=O)CCC(C(=O)OCCN(CCCC)C(=O)O)N(CCCC)C(=O)O)C(=O)O.
What is the InChIKey of [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid?
The InChIKey is FZRWYWPTEULHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O10/c1-4-7-12-25(22(30)31)15-17-36-20(28)11-10-19(27(24(34)35)14-9-6-3)21(29)37-18-16-26(23(32)33)13-8-5-2/h19H,4-18H2,1-3H3,(H,30,31)(H,32,33)(H,34,35).
What are the key properties of [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid?
[1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid has a molecular weight of 533.62 g/mol, XLogP of 3.56, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis[2-[butyl(carboxy)amino]ethoxy]-1,5-dioxopentan-2-yl]-butylcarbamic acid is sourced from PubChem (CID 175073249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).