methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate

C17H24N2O4 — CID 47044869

IUPACmethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C17H24N2O4/c1-6-19(11-14(20)18-17(2,3)4)15(21)12-8-7-9-13(10-12)16(22)23-5/h7-10H,6,11H2,1-5H3,(H,18,20)
InChIKeyIAKZANMQSVETQQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.85
Rot. Bonds5

About methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate

methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate (PubChem CID 47044869) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
PubChem CID47044869
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C17H24N2O4/c1-6-19(11-14(20)18-17(2,3)4)15(21)12-8-7-9-13(10-12)16(22)23-5/h7-10H,6,11H2,1-5H3,(H,18,20)
InChIKeyIAKZANMQSVETQQ-UHFFFAOYSA-N
XLogP1.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-phenylmethoxybenzamide
CID 26266292
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-methoxypyridine-3-carboxamide
CID 24546502
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
CID 78789446
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
CID 39903137
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-methoxy-4-prop-2-enoxybenzamide
CID 24546507
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
methyl 3-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]benzoate
CID 55915257
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
CID 71944585
CID 70265363
CID 70265363

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate (CID 47044869) is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate is CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate?
The InChIKey is IAKZANMQSVETQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-6-19(11-14(20)18-17(2,3)4)15(21)12-8-7-9-13(10-12)16(22)23-5/h7-10H,6,11H2,1-5H3,(H,18,20).
What are the key properties of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate?
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate has a molecular weight of 320.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate is sourced from PubChem (CID 47044869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).