N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide

C20H35N3O2 — CID 54194915

IUPACN,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide
SMILESCCN(CC)CCN(CCN(CC)CC)C(=O)c1ccccc1CO
InChIInChI=1S/C20H35N3O2/c1-5-21(6-2)13-15-23(16-14-22(7-3)8-4)20(25)19-12-10-9-11-18(19)17-24/h9-12,24H,5-8,13-17H2,1-4H3
InChIKeyKBHYNVMNFXXGJY-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.30
Rot. Bonds12

About N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide

N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide (PubChem CID 54194915) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide
PubChem CID54194915
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide
SMILESCCN(CC)CCN(CCN(CC)CC)C(=O)c1ccccc1CO
InChIInChI=1S/C20H35N3O2/c1-5-21(6-2)13-15-23(16-14-22(7-3)8-4)20(25)19-12-10-9-11-18(19)17-24/h9-12,24H,5-8,13-17H2,1-4H3
InChIKeyKBHYNVMNFXXGJY-UHFFFAOYSA-N
XLogP2.30
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide?
The IUPAC name of N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide (CID 54194915) is N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide.
What is the SMILES notation for N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide?
The canonical SMILES for N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide is CCN(CC)CCN(CCN(CC)CC)C(=O)c1ccccc1CO.
What is the InChIKey of N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide?
The InChIKey is KBHYNVMNFXXGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-5-21(6-2)13-15-23(16-14-22(7-3)8-4)20(25)19-12-10-9-11-18(19)17-24/h9-12,24H,5-8,13-17H2,1-4H3.
What are the key properties of N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide?
N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide has a molecular weight of 349.52 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide is sourced from PubChem (CID 54194915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).