N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide

C16H23ClN2O4 — CID 26457001

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C16H23ClN2O4/c1-6-23-14-11(17)7-10(8-12(14)22-5)15(21)18-9-13(20)19-16(2,3)4/h7-8H,6,9H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyAMFRIOIOFOVVNV-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide (PubChem CID 26457001) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
PubChem CID26457001
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCC(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C16H23ClN2O4/c1-6-23-14-11(17)7-10(8-12(14)22-5)15(21)18-9-13(20)19-16(2,3)4/h7-8H,6,9H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyAMFRIOIOFOVVNV-UHFFFAOYSA-N
XLogP2.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 28898119
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 95330977
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
CID 37392157
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
3-chloro-4-ethoxy-5-methoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55350863

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide (CID 26457001) is N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NCC(=O)NC(C)(C)C)cc1OC.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
The InChIKey is AMFRIOIOFOVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-6-23-14-11(17)7-10(8-12(14)22-5)15(21)18-9-13(20)19-16(2,3)4/h7-8H,6,9H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide has a molecular weight of 342.82 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 26457001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).