2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide

C20H25BrN2O — CID 9040145

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O/c1-16(8-9-17-6-4-3-5-7-17)22-20(24)15-23(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyAUYJMGULRRAHEU-INIZCTEOSA-N
MW389.34 g/mol
LogP4.02
Rot. Bonds8

About 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 9040145) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID9040145
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C20H25BrN2O/c1-16(8-9-17-6-4-3-5-7-17)22-20(24)15-23(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyAUYJMGULRRAHEU-INIZCTEOSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9199067
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
5-bromo-N-methyl-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]furan-2-carboxamide
CID 87021208
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]amino]acetamide
CID 18078875
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-bromobenzoate
CID 2625768
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 9040145) is 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide is C[C@@H](CCc1ccccc1)NC(=O)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is AUYJMGULRRAHEU-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-16(8-9-17-6-4-3-5-7-17)22-20(24)15-23(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 389.34 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9040145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).