N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide

C16H22BrN3O3 — CID 119685461

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CNCC1CCCO1
InChIInChI=1S/C16H22BrN3O3/c1-11-7-12(17)4-5-14(11)20-16(22)10-19-15(21)9-18-8-13-3-2-6-23-13/h4-5,7,13,18H,2-3,6,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBDPYFWPMYNBFNZ-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 119685461) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID119685461
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CNCC1CCCO1
InChIInChI=1S/C16H22BrN3O3/c1-11-7-12(17)4-5-14(11)20-16(22)10-19-15(21)9-18-8-13-3-2-6-23-13/h4-5,7,13,18H,2-3,6,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyBDPYFWPMYNBFNZ-UHFFFAOYSA-N
XLogP1.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124698301
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
N-(4-bromo-2-methylphenyl)-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetamide
CID 17432748
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 119685461) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)CNCC1CCCO1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is BDPYFWPMYNBFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O3/c1-11-7-12(17)4-5-14(11)20-16(22)10-19-15(21)9-18-8-13-3-2-6-23-13/h4-5,7,13,18H,2-3,6,8-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 384.27 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 119685461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).