2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide

C13H18BrN3O2 — CID 61264658

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O2/c1-13(2,16)12(19)17(8-11(15)18)7-9-3-5-10(14)6-4-9/h3-6H,7-8,16H2,1-2H3,(H2,15,18)
InChIKeySCTNOAUPBMEGDF-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.00
Rot. Bonds5

About 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide

2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide (PubChem CID 61264658) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
PubChem CID61264658
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O2/c1-13(2,16)12(19)17(8-11(15)18)7-9-3-5-10(14)6-4-9/h3-6H,7-8,16H2,1-2H3,(H2,15,18)
InChIKeySCTNOAUPBMEGDF-UHFFFAOYSA-N
XLogP1.00
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)propanamide
CID 62835708
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60963762
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
CID 62837088
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 60962932
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
CID 71892511
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 75416940
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103017682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide (CID 61264658) is 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide is CC(C)(N)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
The InChIKey is SCTNOAUPBMEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-13(2,16)12(19)17(8-11(15)18)7-9-3-5-10(14)6-4-9/h3-6H,7-8,16H2,1-2H3,(H2,15,18).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide?
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide has a molecular weight of 328.21 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 61264658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).