2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide

C16H24BrN3O2 — CID 9263209

IUPAC2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
SMILESCC[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O2/c1-5-13(11-6-8-12(17)9-7-11)18-10-14(21)19-15(22)20-16(2,3)4/h6-9,13,18H,5,10H2,1-4H3,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyYBEJSMMRUPNEDX-ZDUSSCGKSA-N
MW370.29 g/mol
LogP3.11
Rot. Bonds5

About 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 9263209) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
PubChem CID9263209
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
SMILESCC[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O2/c1-5-13(11-6-8-12(17)9-7-11)18-10-14(21)19-15(22)20-16(2,3)4/h6-9,13,18H,5,10H2,1-4H3,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyYBEJSMMRUPNEDX-ZDUSSCGKSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
N-(tert-butylcarbamoyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9375557
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide (CID 9263209) is 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide is CC[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is YBEJSMMRUPNEDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-5-13(11-6-8-12(17)9-7-11)18-10-14(21)19-15(22)20-16(2,3)4/h6-9,13,18H,5,10H2,1-4H3,(H2,19,20,21,22)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide?
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 370.29 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 9263209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).