N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide

C15H23BrN2O2 — CID 103949825

IUPACN-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
SMILESCC(C)(C)C(CCO)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,3)13(8-9-19)17-10-14(20)18-12-6-4-11(16)5-7-12/h4-7,13,17,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyYNLZDYQBIQXRNS-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.77
Rot. Bonds6

About N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide

N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide (PubChem CID 103949825) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
PubChem CID103949825
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC NameN-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide
SMILESCC(C)(C)C(CCO)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-15(2,3)13(8-9-19)17-10-14(20)18-12-6-4-11(16)5-7-12/h4-7,13,17,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyYNLZDYQBIQXRNS-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372196
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
CID 43545551
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941084
N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
CID 107852682
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
CID 75382992

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide (CID 103949825) is N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide is CC(C)(C)C(CCO)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide?
The InChIKey is YNLZDYQBIQXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2,3)13(8-9-19)17-10-14(20)18-12-6-4-11(16)5-7-12/h4-7,13,17,19H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide?
N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide has a molecular weight of 343.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]acetamide is sourced from PubChem (CID 103949825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).