N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide

C16H25BrN2O — CID 102905582

IUPACN-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
SMILESCC(C)C(CNCC(=O)Nc1ccccc1Br)C(C)C
InChIInChI=1S/C16H25BrN2O/c1-11(2)13(12(3)4)9-18-10-16(20)19-15-8-6-5-7-14(15)17/h5-8,11-13,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyNARGRPKTHCGRQL-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.91
Rot. Bonds7

About N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide

N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide (PubChem CID 102905582) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
PubChem CID102905582
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
SMILESCC(C)C(CNCC(=O)Nc1ccccc1Br)C(C)C
InChIInChI=1S/C16H25BrN2O/c1-11(2)13(12(3)4)9-18-10-16(20)19-15-8-6-5-7-14(15)17/h5-8,11-13,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyNARGRPKTHCGRQL-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]butanamide
CID 115572702
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide (CID 102905582) is N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide is CC(C)C(CNCC(=O)Nc1ccccc1Br)C(C)C.
What is the InChIKey of N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
The InChIKey is NARGRPKTHCGRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(2)13(12(3)4)9-18-10-16(20)19-15-8-6-5-7-14(15)17/h5-8,11-13,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide has a molecular weight of 341.29 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide is sourced from PubChem (CID 102905582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).