N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide

C18H28N2O3 — CID 39903137

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(CC)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-6-12-23-15-10-8-14(9-11-15)17(22)20(7-2)13-16(21)19-18(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,19,21)
InChIKeyWYKOEBHLTSFNAX-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide (PubChem CID 39903137) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
PubChem CID39903137
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(CC)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-6-12-23-15-10-8-14(9-11-15)17(22)20(7-2)13-16(21)19-18(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,19,21)
InChIKeyWYKOEBHLTSFNAX-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-methoxypyridine-3-carboxamide
CID 24546502
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 47044869
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-phenylmethoxybenzamide
CID 26266292
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide
CID 24546507
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
4-butoxy-N-tert-butylbenzamide
CID 60643031
N-tert-butyl-2-[ethyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 55770776
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide (CID 39903137) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide is CCCOc1ccc(C(=O)N(CC)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide?
The InChIKey is WYKOEBHLTSFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-12-23-15-10-8-14(9-11-15)17(22)20(7-2)13-16(21)19-18(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide is sourced from PubChem (CID 39903137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).