2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C16H24BrN3O2 — CID 8913472

IUPAC2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-11(2)18-15(21)9-20(4)10-16(22)19-12(3)13-7-5-6-8-14(13)17/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyHHMMMJZUVVWIPU-LBPRGKRZSA-N
MW370.29 g/mol
LogP2.08
Rot. Bonds7

About 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 8913472) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID8913472
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-11(2)18-15(21)9-20(4)10-16(22)19-12(3)13-7-5-6-8-14(13)17/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyHHMMMJZUVVWIPU-LBPRGKRZSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123169
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 43442483
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 9050148

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 8913472) is 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is HHMMMJZUVVWIPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-11(2)18-15(21)9-20(4)10-16(22)19-12(3)13-7-5-6-8-14(13)17/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 370.29 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8913472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).