3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide

C14H20ClN3O2 — CID 60936833

IUPAC3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H20ClN3O2/c1-14(2,3)17-12(19)8-18(4)13(20)9-5-6-10(15)11(16)7-9/h5-7H,8,16H2,1-4H3,(H,17,19)
InChIKeyISGYYMTYNNLCCS-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide (PubChem CID 60936833) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
PubChem CID60936833
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H20ClN3O2/c1-14(2,3)17-12(19)8-18(4)13(20)9-5-6-10(15)11(16)7-9/h5-7H,8,16H2,1-4H3,(H,17,19)
InChIKeyISGYYMTYNNLCCS-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 24550044
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 18170202
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
CID 60724448
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289508
3-amino-4-(dimethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093615

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide (CID 60936833) is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
The InChIKey is ISGYYMTYNNLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(2,3)17-12(19)8-18(4)13(20)9-5-6-10(15)11(16)7-9/h5-7H,8,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide?
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide has a molecular weight of 297.79 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 60936833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).