N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide

C24H40N2O12 — CID 21337732

IUPACN-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide
SMILESCC(=O)COCC(COCC(C)=O)NC(=O)COCCOCC(=O)NC(COCC(C)=O)COCC(C)=O
InChIInChI=1S/C24H40N2O12/c1-17(27)7-35-11-21(12-36-8-18(2)28)25-23(31)15-33-5-6-34-16-24(32)26-22(13-37-9-19(3)29)14-38-10-20(4)30/h21-22H,5-16H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyNBZKBQBMZNTAHZ-UHFFFAOYSA-N
MW548.59 g/mol
LogP-1.59
Rot. Bonds25

About N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide

N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide (PubChem CID 21337732) has the molecular formula C24H40N2O12 and a molecular weight of 548.59 g/mol. Its IUPAC name is N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide
PubChem CID21337732
Molecular FormulaC24H40N2O12
Molecular Weight548.59 g/mol
Exact Mass548.26
IUPAC NameN-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide
SMILESCC(=O)COCC(COCC(C)=O)NC(=O)COCCOCC(=O)NC(COCC(C)=O)COCC(C)=O
InChIInChI=1S/C24H40N2O12/c1-17(27)7-35-11-21(12-36-8-18(2)28)25-23(31)15-33-5-6-34-16-24(32)26-22(13-37-9-19(3)29)14-38-10-20(4)30/h21-22H,5-16H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyNBZKBQBMZNTAHZ-UHFFFAOYSA-N
XLogP-1.59
TPSA181.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.59
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide?
The IUPAC name of N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide (CID 21337732) is N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide.
What is the SMILES notation for N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide?
The canonical SMILES for N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide is CC(=O)COCC(COCC(C)=O)NC(=O)COCCOCC(=O)NC(COCC(C)=O)COCC(C)=O.
What is the InChIKey of N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide?
The InChIKey is NBZKBQBMZNTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O12/c1-17(27)7-35-11-21(12-36-8-18(2)28)25-23(31)15-33-5-6-34-16-24(32)26-22(13-37-9-19(3)29)14-38-10-20(4)30/h21-22H,5-16H2,1-4H3,(H,25,31)(H,26,32).
What are the key properties of N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide?
N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide has a molecular weight of 548.59 g/mol, XLogP of -1.59, 25 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide is sourced from PubChem (CID 21337732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).