2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide

C22H26BrN3O2 — CID 46444247

IUPAC2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
SMILESCC(C1CC1)N(CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccccc1
InChIInChI=1S/C22H26BrN3O2/c1-16(18-11-12-18)26(14-17-7-3-2-4-8-17)15-22(28)24-13-21(27)25-20-10-6-5-9-19(20)23/h2-10,16,18H,11-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyQYDYILCNCVESAL-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.80
Rot. Bonds9

About 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide

2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide (PubChem CID 46444247) has the molecular formula C22H26BrN3O2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
PubChem CID46444247
Molecular FormulaC22H26BrN3O2
Molecular Weight444.37 g/mol
Exact Mass443.12
IUPAC Name2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
SMILESCC(C1CC1)N(CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccccc1
InChIInChI=1S/C22H26BrN3O2/c1-16(18-11-12-18)26(14-17-7-3-2-4-8-17)15-22(28)24-13-21(27)25-20-10-6-5-9-19(20)23/h2-10,16,18H,11-15H2,1H3,(H,24,28)(H,25,27)
InChIKeyQYDYILCNCVESAL-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 32514051
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
CID 31996146
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 51249740
N-(2-bromophenyl)-2-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]acetamide
CID 60510077
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17475044
2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 46402667
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide (CID 46444247) is 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide is CC(C1CC1)N(CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccccc1.
What is the InChIKey of 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
The InChIKey is QYDYILCNCVESAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2/c1-16(18-11-12-18)26(14-17-7-3-2-4-8-17)15-22(28)24-13-21(27)25-20-10-6-5-9-19(20)23/h2-10,16,18H,11-15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide?
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide has a molecular weight of 444.37 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 46444247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).