2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide

C14H19BrN2O3 — CID 113160115

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(Br)cc1)C(C)=O
InChIInChI=1S/C14H19BrN2O3/c1-11(18)17(8-3-9-20-2)10-14(19)16-13-6-4-12(15)5-7-13/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyKMWAXRBENSJIEP-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.27
Rot. Bonds7

About 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide

2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide (PubChem CID 113160115) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
PubChem CID113160115
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(Br)cc1)C(C)=O
InChIInChI=1S/C14H19BrN2O3/c1-11(18)17(8-3-9-20-2)10-14(19)16-13-6-4-12(15)5-7-13/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyKMWAXRBENSJIEP-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160101
2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 113160116
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
2-[acetyl(2-methoxyethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113159904
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113160158
methyl 4-[[2-[acetyl-[3-(dimethylamino)propyl]amino]acetyl]amino]benzoate
CID 113160912
3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117197
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide (CID 113160115) is 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide is COCCCN(CC(=O)Nc1ccc(Br)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide?
The InChIKey is KMWAXRBENSJIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-11(18)17(8-3-9-20-2)10-14(19)16-13-6-4-12(15)5-7-13/h4-7H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide has a molecular weight of 343.22 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 113160115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).