N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide

C15H23BrN2O2 — CID 66178826

IUPACN-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
SMILESCC(C)CC(C)(O)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-11(2)8-15(3,20)10-17-9-14(19)18-13-6-4-5-12(16)7-13/h4-7,11,17,20H,8-10H2,1-3H3,(H,18,19)
InChIKeyYWGAZZGUBFANBR-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.77
Rot. Bonds7

About N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide

N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide (PubChem CID 66178826) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
PubChem CID66178826
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC NameN-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
SMILESCC(C)CC(C)(O)CNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-11(2)8-15(3,20)10-17-9-14(19)18-13-6-4-5-12(16)7-13/h4-7,11,17,20H,8-10H2,1-3H3,(H,18,19)
InChIKeyYWGAZZGUBFANBR-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 66172050
N-(3-bromophenyl)-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147607
N-(3-bromophenyl)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetamide
CID 113293844
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N-(3-bromophenyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572652
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
CID 54914213
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-tert-butylpropanamide
CID 115745368
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide (CID 66178826) is N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide is CC(C)CC(C)(O)CNCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide?
The InChIKey is YWGAZZGUBFANBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11(2)8-15(3,20)10-17-9-14(19)18-13-6-4-5-12(16)7-13/h4-7,11,17,20H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide?
N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide has a molecular weight of 343.27 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide is sourced from PubChem (CID 66178826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).