N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide

C16H23BrN4O3 — CID 55485275

IUPACN-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H23BrN4O3/c1-10-7-11(17)5-6-12(10)20-13(22)8-18-15(24)19-9-14(23)21-16(2,3)4/h5-7H,8-9H2,1-4H3,(H,20,22)(H,21,23)(H2,18,19,24)
InChIKeyFAEIPQQPTAUJFD-UHFFFAOYSA-N
MW399.29 g/mol
LogP1.91
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide (PubChem CID 55485275) has the molecular formula C16H23BrN4O3 and a molecular weight of 399.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
PubChem CID55485275
Molecular FormulaC16H23BrN4O3
Molecular Weight399.29 g/mol
Exact Mass398.10
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H23BrN4O3/c1-10-7-11(17)5-6-12(10)20-13(22)8-18-15(24)19-9-14(23)21-16(2,3)4/h5-7H,8-9H2,1-4H3,(H,20,22)(H,21,23)(H2,18,19,24)
InChIKeyFAEIPQQPTAUJFD-UHFFFAOYSA-N
XLogP1.91
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111385894
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,2-dimethylbut-3-enamide
CID 122151383
3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide
CID 55910513
N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
CID 42954179
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide
CID 52550986
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide (CID 55485275) is N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide?
The InChIKey is FAEIPQQPTAUJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O3/c1-10-7-11(17)5-6-12(10)20-13(22)8-18-15(24)19-9-14(23)21-16(2,3)4/h5-7H,8-9H2,1-4H3,(H,20,22)(H,21,23)(H2,18,19,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide has a molecular weight of 399.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide is sourced from PubChem (CID 55485275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).