2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide

C20H32N4O3 — CID 86922360

IUPAC2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H32N4O3/c1-14(2)17(18(26)24(6)13-16(25)23-20(3,4)5)22-19(27)21-12-15-10-8-7-9-11-15/h7-11,14,17H,12-13H2,1-6H3,(H,23,25)(H2,21,22,27)
InChIKeyOHFRGSQQFAGNAL-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.88
Rot. Bonds7

About 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide

2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide (PubChem CID 86922360) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide
PubChem CID86922360
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H32N4O3/c1-14(2)17(18(26)24(6)13-16(25)23-20(3,4)5)22-19(27)21-12-15-10-8-7-9-11-15/h7-11,14,17H,12-13H2,1-6H3,(H,23,25)(H2,21,22,27)
InChIKeyOHFRGSQQFAGNAL-UHFFFAOYSA-N
XLogP1.88
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
CID 55639339
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
CID 95590588
2-(benzylcarbamoylamino)-N,3-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 78863297
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide
CID 119552532
1-benzyl-3-[1-(2-benzylhydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 72991474
2-(benzylcarbamoylamino)-3-methyl-N-[2-(methylamino)ethyl]butanamide
CID 119502329
2-(benzylcarbamoylamino)-N-(3-hydroxypropyl)-3-methylbutanamide
CID 78854431
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
4-[2-[[2-(benzylcarbamoylamino)-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 119168687
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
CID 74321598

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide (CID 86922360) is 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide is CC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
The InChIKey is OHFRGSQQFAGNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-14(2)17(18(26)24(6)13-16(25)23-20(3,4)5)22-19(27)21-12-15-10-8-7-9-11-15/h7-11,14,17H,12-13H2,1-6H3,(H,23,25)(H2,21,22,27).
What are the key properties of 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide has a molecular weight of 376.50 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 86922360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).