N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide

C12H24N4O3 — CID 18674790

IUPACN-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide
SMILESCC(=O)NC(C)N(C(C)NC(C)=O)C(C)NC(C)=O
InChIInChI=1S/C12H24N4O3/c1-7(13-10(4)17)16(8(2)14-11(5)18)9(3)15-12(6)19/h7-9H,1-6H3,(H,13,17)(H,14,18)(H,15,19)
InChIKeyCWDIVBFHNIARIW-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.27
Rot. Bonds6

About N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide

N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide (PubChem CID 18674790) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide
PubChem CID18674790
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC NameN-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide
SMILESCC(=O)NC(C)N(C(C)NC(C)=O)C(C)NC(C)=O
InChIInChI=1S/C12H24N4O3/c1-7(13-10(4)17)16(8(2)14-11(5)18)9(3)15-12(6)19/h7-9H,1-6H3,(H,13,17)(H,14,18)(H,15,19)
InChIKeyCWDIVBFHNIARIW-UHFFFAOYSA-N
XLogP-0.27
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide?
The IUPAC name of N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide (CID 18674790) is N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide?
The canonical SMILES for N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide is CC(=O)NC(C)N(C(C)NC(C)=O)C(C)NC(C)=O.
What is the InChIKey of N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide?
The InChIKey is CWDIVBFHNIARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-7(13-10(4)17)16(8(2)14-11(5)18)9(3)15-12(6)19/h7-9H,1-6H3,(H,13,17)(H,14,18)(H,15,19).
What are the key properties of N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide?
N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(1-acetamidoethyl)amino]ethyl]acetamide is sourced from PubChem (CID 18674790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).