2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide

C15H30N4O4 — CID 59098642

IUPAC2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide
SMILESCCCOCCNC(=O)CN(CCNC(C)=O)CCNC(C)=O
InChIInChI=1S/C15H30N4O4/c1-4-10-23-11-7-18-15(22)12-19(8-5-16-13(2)20)9-6-17-14(3)21/h4-12H2,1-3H3,(H,16,20)(H,17,21)(H,18,22)
InChIKeyZVJFHCVNDDUWRJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP-0.90
Rot. Bonds13

About 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide

2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide (PubChem CID 59098642) has the molecular formula C15H30N4O4 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide.

Molecular Properties

Compound Name2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide
PubChem CID59098642
Molecular FormulaC15H30N4O4
Molecular Weight330.43 g/mol
Exact Mass330.23
IUPAC Name2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide
SMILESCCCOCCNC(=O)CN(CCNC(C)=O)CCNC(C)=O
InChIInChI=1S/C15H30N4O4/c1-4-10-23-11-7-18-15(22)12-19(8-5-16-13(2)20)9-6-17-14(3)21/h4-12H2,1-3H3,(H,16,20)(H,17,21)(H,18,22)
InChIKeyZVJFHCVNDDUWRJ-UHFFFAOYSA-N
XLogP-0.90
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 5-0.90
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

2-[bis[2-[[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 22943944
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetamide
CID 168986576
(2S)-N-[2-[2-[[2-[bis(2-acetamidoethyl)amino]acetyl]amino]ethoxy]ethyl]-4-methyl-2-(methylamino)pentanamide
CID 58601893
2-[ethyl(methyl)amino]-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 139373767
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetic acid
CID 23524479
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
methane;propane;N-[4-(2-propoxyethylcarbamoylamino)butyl]acetamide;1-propoxypropane
CID 142400891
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide?
The IUPAC name of 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide (CID 59098642) is 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide.
What is the SMILES notation for 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide?
The canonical SMILES for 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide is CCCOCCNC(=O)CN(CCNC(C)=O)CCNC(C)=O.
What is the InChIKey of 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide?
The InChIKey is ZVJFHCVNDDUWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4/c1-4-10-23-11-7-18-15(22)12-19(8-5-16-13(2)20)9-6-17-14(3)21/h4-12H2,1-3H3,(H,16,20)(H,17,21)(H,18,22).
What are the key properties of 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide?
2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of -0.90, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide is sourced from PubChem (CID 59098642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).