2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide

C15H31N5O3 — CID 91693980

IUPAC2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide
SMILESCC(=O)NC(C(=O)NCCCN(C)C)C(=O)NCCCN(C)C
InChIInChI=1S/C15H31N5O3/c1-12(21)18-13(14(22)16-8-6-10-19(2)3)15(23)17-9-7-11-20(4)5/h13H,6-11H2,1-5H3,(H,16,22)(H,17,23)(H,18,21)
InChIKeyCVVJJTXWHIZRAO-UHFFFAOYSA-N
MW329.45 g/mol
LogP-1.37
Rot. Bonds11

About 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide

2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide (PubChem CID 91693980) has the molecular formula C15H31N5O3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide.

Molecular Properties

Compound Name2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide
PubChem CID91693980
Molecular FormulaC15H31N5O3
Molecular Weight329.45 g/mol
Exact Mass329.24
IUPAC Name2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide
SMILESCC(=O)NC(C(=O)NCCCN(C)C)C(=O)NCCCN(C)C
InChIInChI=1S/C15H31N5O3/c1-12(21)18-13(14(22)16-8-6-10-19(2)3)15(23)17-9-7-11-20(4)5/h13H,6-11H2,1-5H3,(H,16,22)(H,17,23)(H,18,21)
InChIKeyCVVJJTXWHIZRAO-UHFFFAOYSA-N
XLogP-1.37
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
(2S)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 61190739
(2R)-2-[3-(dimethylamino)propylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757649
N,N'-bis[1-[3-(dimethylamino)propylamino]-1-oxo-3-sulfanylpropan-2-yl]propanediamide
CID 87759704
2-[(2R)-2-acetamido-3-[[(2S)-1-[3-(dimethylamino)propylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylethylcarbamic acid
CID 118524271
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218836
N-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
CID 130379782
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide?
The IUPAC name of 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide (CID 91693980) is 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide.
What is the SMILES notation for 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide?
The canonical SMILES for 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide is CC(=O)NC(C(=O)NCCCN(C)C)C(=O)NCCCN(C)C.
What is the InChIKey of 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide?
The InChIKey is CVVJJTXWHIZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O3/c1-12(21)18-13(14(22)16-8-6-10-19(2)3)15(23)17-9-7-11-20(4)5/h13H,6-11H2,1-5H3,(H,16,22)(H,17,23)(H,18,21).
What are the key properties of 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide?
2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide has a molecular weight of 329.45 g/mol, XLogP of -1.37, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide is sourced from PubChem (CID 91693980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).