5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide

C15H30N2O6 — CID 146434374

IUPAC5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide
SMILESO=CC(CCCC(=O)N(CCO)CCO)CN(CCO)CCO
InChIInChI=1S/C15H30N2O6/c18-8-4-16(5-9-19)12-14(13-22)2-1-3-15(23)17(6-10-20)7-11-21/h13-14,18-21H,1-12H2
InChIKeyOVVNYUBOFUPDIC-UHFFFAOYSA-N
MW334.41 g/mol
LogP-1.93
Rot. Bonds15

About 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide

5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide (PubChem CID 146434374) has the molecular formula C15H30N2O6 and a molecular weight of 334.41 g/mol. Its IUPAC name is 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide.

Molecular Properties

Compound Name5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide
PubChem CID146434374
Molecular FormulaC15H30N2O6
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC Name5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide
SMILESO=CC(CCCC(=O)N(CCO)CCO)CN(CCO)CCO
InChIInChI=1S/C15H30N2O6/c18-8-4-16(5-9-19)12-14(13-22)2-1-3-15(23)17(6-10-20)7-11-21/h13-14,18-21H,1-12H2
InChIKeyOVVNYUBOFUPDIC-UHFFFAOYSA-N
XLogP-1.93
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
4-chloro-N,N-bis(2-hydroxyethyl)butanamide
CID 63307970
N,N-bis(2-hydroxyethyl)hex-5-enamide
CID 58150290
5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
CID 168940710
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 61234331

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide?
The IUPAC name of 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide (CID 146434374) is 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide.
What is the SMILES notation for 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide?
The canonical SMILES for 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide is O=CC(CCCC(=O)N(CCO)CCO)CN(CCO)CCO.
What is the InChIKey of 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide?
The InChIKey is OVVNYUBOFUPDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O6/c18-8-4-16(5-9-19)12-14(13-22)2-1-3-15(23)17(6-10-20)7-11-21/h13-14,18-21H,1-12H2.
What are the key properties of 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide?
5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide has a molecular weight of 334.41 g/mol, XLogP of -1.93, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-hydroxyethyl)amino]methyl]-N,N-bis(2-hydroxyethyl)-6-oxohexanamide is sourced from PubChem (CID 146434374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).