N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide

C18H30N2O2 — CID 110425052

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
SMILESCCN(CC)CCOCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-5-20(6-2)12-14-22-13-11-19-18(21)17-9-7-16(8-10-17)15(3)4/h7-10,15H,5-6,11-14H2,1-4H3,(H,19,21)
InChIKeyCZMNFCNSNRRTRD-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.90
Rot. Bonds10

About N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide (PubChem CID 110425052) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
PubChem CID110425052
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
SMILESCCN(CC)CCOCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-5-20(6-2)12-14-22-13-11-19-18(21)17-9-7-16(8-10-17)15(3)4/h7-10,15H,5-6,11-14H2,1-4H3,(H,19,21)
InChIKeyCZMNFCNSNRRTRD-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17229797
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methylpropanamide
CID 110425032
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110618492
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618549
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110618521
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide (CID 110425052) is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide is CCN(CC)CCOCCNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide?
The InChIKey is CZMNFCNSNRRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-20(6-2)12-14-22-13-11-19-18(21)17-9-7-16(8-10-17)15(3)4/h7-10,15H,5-6,11-14H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide has a molecular weight of 306.45 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 110425052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).