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

C14H21N3O2 — CID 78984760

IUPAC3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9-10(6-5-7-11(9)15)13(19)16-8-12(18)17-14(2,3)4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKDOSNHKMIVQDBC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.22
Rot. Bonds3

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

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 78984760) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
PubChem CID78984760
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O2/c1-9-10(6-5-7-11(9)15)13(19)16-8-12(18)17-14(2,3)4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKDOSNHKMIVQDBC-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
CID 61212549
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
2-(2-amino-6-methylanilino)-N-tert-butylacetamide
CID 115550766
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
CID 26456826
2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 65349911
2-(3-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81190716
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide (CID 78984760) is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is KDOSNHKMIVQDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-10(6-5-7-11(9)15)13(19)16-8-12(18)17-14(2,3)4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide?
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 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]-2-methylbenzamide is sourced from PubChem (CID 78984760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).