2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide

C14H22BrN3O — CID 55018046

IUPAC2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN3O/c1-10(2)8-18(9-14(17)19)13(7-16)11-4-3-5-12(15)6-11/h3-6,10,13H,7-9,16H2,1-2H3,(H2,17,19)
InChIKeyBQGRDSKGSKYCBL-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.89
Rot. Bonds7

About 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide

2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide (PubChem CID 55018046) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
PubChem CID55018046
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN3O/c1-10(2)8-18(9-14(17)19)13(7-16)11-4-3-5-12(15)6-11/h3-6,10,13H,7-9,16H2,1-2H3,(H2,17,19)
InChIKeyBQGRDSKGSKYCBL-UHFFFAOYSA-N
XLogP1.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214
2-[[2-amino-1-(2-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55022594
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910
2-[[2-amino-1-(2-methylphenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018380
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395
2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide
CID 56810079
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
ethyl 3-(3-bromophenyl)-3-(diethylamino)propanoate
CID 64542038
CID 172861742
CID 172861742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide (CID 55018046) is 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)C(CN)c1cccc(Br)c1.
What is the InChIKey of 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is BQGRDSKGSKYCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-10(2)8-18(9-14(17)19)13(7-16)11-4-3-5-12(15)6-11/h3-6,10,13H,7-9,16H2,1-2H3,(H2,17,19).
What are the key properties of 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide?
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 328.25 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 55018046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).