N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide

C18H28BrN3O2 — CID 8795783

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H28BrN3O2/c1-6-22(12-17(24)21-18(3,4)5)11-16(23)20-13(2)14-7-9-15(19)10-8-14/h7-10,13H,6,11-12H2,1-5H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeySHDVSXBFNNEBNH-ZDUSSCGKSA-N
MW398.35 g/mol
LogP2.86
Rot. Bonds7

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 8795783) has the molecular formula C18H28BrN3O2 and a molecular weight of 398.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
PubChem CID8795783
Molecular FormulaC18H28BrN3O2
Molecular Weight398.35 g/mol
Exact Mass397.14
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H28BrN3O2/c1-6-22(12-17(24)21-18(3,4)5)11-16(23)20-13(2)14-7-9-15(19)10-8-14/h7-10,13H,6,11-12H2,1-5H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeySHDVSXBFNNEBNH-ZDUSSCGKSA-N
XLogP2.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 55381742
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 46516037
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8794225
2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906778
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8794351
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
CID 81359603

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide (CID 8795783) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is SHDVSXBFNNEBNH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28BrN3O2/c1-6-22(12-17(24)21-18(3,4)5)11-16(23)20-13(2)14-7-9-15(19)10-8-14/h7-10,13H,6,11-12H2,1-5H3,(H,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 398.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 8795783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).