2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide

C14H21BrN2O2 — CID 47006314

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-17(10-12-4-6-13(15)7-5-12)11-14(18)16-8-3-9-19-2/h4-7H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyWOGTYWZMCJDATC-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.03
Rot. Bonds8

About 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 47006314) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID47006314
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-17(10-12-4-6-13(15)7-5-12)11-14(18)16-8-3-9-19-2/h4-7H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyWOGTYWZMCJDATC-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.03
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

methyl 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 8539784
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126085750
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 51183315
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 134001625
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide (CID 47006314) is 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is WOGTYWZMCJDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-17(10-12-4-6-13(15)7-5-12)11-14(18)16-8-3-9-19-2/h4-7H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 47006314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).