N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide

C19H39N3O4 — CID 59969263

IUPACN-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide
SMILESCCCCC(CCCC)(C(=O)NC)C(=O)NCCCN(CCO)CCO
InChIInChI=1S/C19H39N3O4/c1-4-6-9-19(10-7-5-2,17(25)20-3)18(26)21-11-8-12-22(13-15-23)14-16-24/h23-24H,4-16H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyMKSOJZJYQDJZHI-UHFFFAOYSA-N
MW373.54 g/mol
LogP0.89
Rot. Bonds16

About N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide

N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide (PubChem CID 59969263) has the molecular formula C19H39N3O4 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide.

Molecular Properties

Compound NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide
PubChem CID59969263
Molecular FormulaC19H39N3O4
Molecular Weight373.54 g/mol
Exact Mass373.29
IUPAC NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide
SMILESCCCCC(CCCC)(C(=O)NC)C(=O)NCCCN(CCO)CCO
InChIInChI=1S/C19H39N3O4/c1-4-6-9-19(10-7-5-2,17(25)20-3)18(26)21-11-8-12-22(13-15-23)14-16-24/h23-24H,4-16H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyMKSOJZJYQDJZHI-UHFFFAOYSA-N
XLogP0.89
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 50.89
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide?
The IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide (CID 59969263) is N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide.
What is the SMILES notation for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide?
The canonical SMILES for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide is CCCCC(CCCC)(C(=O)NC)C(=O)NCCCN(CCO)CCO.
What is the InChIKey of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide?
The InChIKey is MKSOJZJYQDJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O4/c1-4-6-9-19(10-7-5-2,17(25)20-3)18(26)21-11-8-12-22(13-15-23)14-16-24/h23-24H,4-16H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide?
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide has a molecular weight of 373.54 g/mol, XLogP of 0.89, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide is sourced from PubChem (CID 59969263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).