2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide

C16H29Cl2N5O6 — CID 140918425

IUPAC2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide
SMILESNCCOCCOCC(=O)NCC(=O)N(CCNC(=O)CCl)CCNC(=O)CCl
InChIInChI=1S/C16H29Cl2N5O6/c17-9-13(24)20-2-4-23(5-3-21-14(25)10-18)16(27)11-22-15(26)12-29-8-7-28-6-1-19/h1-12,19H2,(H,20,24)(H,21,25)(H,22,26)
InChIKeyGFSUXFDDPJPJJU-UHFFFAOYSA-N
MW458.34 g/mol
LogP-2.37
Rot. Bonds17

About 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide

2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide (PubChem CID 140918425) has the molecular formula C16H29Cl2N5O6 and a molecular weight of 458.34 g/mol. Its IUPAC name is 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide
PubChem CID140918425
Molecular FormulaC16H29Cl2N5O6
Molecular Weight458.34 g/mol
Exact Mass457.15
IUPAC Name2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide
SMILESNCCOCCOCC(=O)NCC(=O)N(CCNC(=O)CCl)CCNC(=O)CCl
InChIInChI=1S/C16H29Cl2N5O6/c17-9-13(24)20-2-4-23(5-3-21-14(25)10-18)16(27)11-22-15(26)12-29-8-7-28-6-1-19/h1-12,19H2,(H,20,24)(H,21,25)(H,22,26)
InChIKeyGFSUXFDDPJPJJU-UHFFFAOYSA-N
XLogP-2.37
TPSA152.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane
CID 157336763
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide
CID 58238700
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
CID 79478891
2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
CID 163273323
2-(2-aminoethoxy)-N-ethylacetamide
CID 62343422

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide?
The IUPAC name of 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide (CID 140918425) is 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide is NCCOCCOCC(=O)NCC(=O)N(CCNC(=O)CCl)CCNC(=O)CCl.
What is the InChIKey of 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide?
The InChIKey is GFSUXFDDPJPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29Cl2N5O6/c17-9-13(24)20-2-4-23(5-3-21-14(25)10-18)16(27)11-22-15(26)12-29-8-7-28-6-1-19/h1-12,19H2,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide?
2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide has a molecular weight of 458.34 g/mol, XLogP of -2.37, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide is sourced from PubChem (CID 140918425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).