2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide

C15H22BrN3O2 — CID 60963304

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-3-10(2)14(18)15(21)19(9-13(17)20)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9,18H2,1-2H3,(H2,17,20)
InChIKeyRQRLYCPLLHJWCF-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.64
Rot. Bonds7

About 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide

2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide (PubChem CID 60963304) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
PubChem CID60963304
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-3-10(2)14(18)15(21)19(9-13(17)20)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9,18H2,1-2H3,(H2,17,20)
InChIKeyRQRLYCPLLHJWCF-UHFFFAOYSA-N
XLogP1.64
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
CID 62837088
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide
CID 94453902
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60963762
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide (CID 60963304) is 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide is CCC(C)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]-3-methylpentanamide?
The InChIKey is RQRLYCPLLHJWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-3-10(2)14(18)15(21)19(9-13(17)20)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9,18H2,1-2H3,(H2,17,20).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide?
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide has a molecular weight of 356.26 g/mol, XLogP of 1.64, 7 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]-3-methylpentanamide is sourced from PubChem (CID 60963304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).