4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide

C15H22BrNO4 — CID 61039164

IUPAC4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCCO)C(C)C)cc(OC)c1Br
InChIInChI=1S/C15H22BrNO4/c1-10(2)17(6-5-7-18)15(19)11-8-12(20-3)14(16)13(9-11)21-4/h8-10,18H,5-7H2,1-4H3
InChIKeyWJRUNZVESKEJKQ-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.70
Rot. Bonds7

About 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide

4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide (PubChem CID 61039164) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
PubChem CID61039164
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCCO)C(C)C)cc(OC)c1Br
InChIInChI=1S/C15H22BrNO4/c1-10(2)17(6-5-7-18)15(19)11-8-12(20-3)14(16)13(9-11)21-4/h8-10,18H,5-7H2,1-4H3
InChIKeyWJRUNZVESKEJKQ-UHFFFAOYSA-N
XLogP2.70
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
N-(3-hydroxypropyl)-4-methoxy-3-nitro-N-propan-2-ylbenzamide
CID 61039539
4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 63186164
N-(3-bromopropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 80662779
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
CID 54916378
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 43573393
4-butoxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040169
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide (CID 61039164) is 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide is COc1cc(C(=O)N(CCCO)C(C)C)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide?
The InChIKey is WJRUNZVESKEJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-10(2)17(6-5-7-18)15(19)11-8-12(20-3)14(16)13(9-11)21-4/h8-10,18H,5-7H2,1-4H3.
What are the key properties of 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide?
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide has a molecular weight of 360.25 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 61039164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).